Substances (GSRS)

2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE

Also: 3-HYDROXY-6-(HYDROXYMETHYL)-5,6-DIHYDRO-4H-PYRAN-4-ONE, 4H-PYRAN-4-ONE, 2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-

chemicalUNII B2ZY3N0H3K
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
48ac1910-39b6-4a8b-86ab-9ec0f58f9259
Version
8
UNII
B2ZY3N0H3K
Codes
  1. Uuid
    d1865d85-1114-4a1e-a8be-76b4b470e068
    Code
    DTXSID30551797
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID30551797
    Code system
    EPA CompTox
    References
    a037aa4e-25c3-2360-e0d1-e113f6dabe78
  2. Uuid
    c125a77d-425a-42b5-ae26-3c700cde80b0
    Code
    6380-97-8
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=6380-97-8
    Code system
    CAS
    References
    8300de8a-1752-4b7e-b896-9cf9065c45d1
  3. Uuid
    158d797f-f680-a5b4-cc17-cc10ee48019a
    Code
    13879741
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/13879741
    Code system
    PUBCHEM
    References
    1ce3aebc-95e1-3285-388f-830a48117746
  4. Uuid
    48f943b3-0b9d-4aa8-b1de-1ce0957ee955
    Code
    B2ZY3N0H3K
    Type
    PRIMARY
    Code system
    FDA UNII
Names
  1. Uuid
    e88ab9f8-424f-95a1-2199-40d782fc77a5
    Name
    2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
    StdName
    2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    abc6291d-2e70-d1d1-5efb-a1b363341352
  2. Uuid
    27563a82-a72f-31f5-5355-e1ac0a65afe8
    Name
    3-HYDROXY-6-(HYDROXYMETHYL)-5,6-DIHYDRO-4H-PYRAN-4-ONE
    StdName
    3-HYDROXY-6-(HYDROXYMETHYL)-5,6-DIHYDRO-4H-PYRAN-4-ONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    abc6291d-2e70-d1d1-5efb-a1b363341352
  3. Uuid
    42a4c74e-8f98-2936-7ddb-b845034723d1
    Name
    4H-PYRAN-4-ONE, 2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-
    StdName
    4H-PYRAN-4-ONE, 2,3-DIHYDRO-5-HYDROXY-2-(HYDROXYMETHYL)-
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    6e03e8c7-34ad-e55a-41e9-e2980854ad59
References
  1. Uuid
    abc6291d-2e70-d1d1-5efb-a1b363341352
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
  2. Uuid
    6e03e8c7-34ad-e55a-41e9-e2980854ad59
    Citation
    TKB
    Doc type
    TOBACCO KNOWLEDGE BASE
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
  3. Uuid
    1ce3aebc-95e1-3285-388f-830a48117746
    Citation
    PUBCHEM
    Doc type
    PUBCHEM
    Public domain
    true
  4. Uuid
    8300de8a-1752-4b7e-b896-9cf9065c45d1
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  5. Uuid
    a037aa4e-25c3-2360-e0d1-e113f6dabe78
    Citation
    EPA CompTox
    Doc type
    EPA
    Public domain
    true
Moieties
  1. Uuid
    087e9dc1-16d0-c0a3-6d3a-e789daa4bdd4
    ID
    087e9dc1-16d0-c0a3-6d3a-e789daa4bdd4
    Smiles
    C1C(CO)OC=C(C1=O)O
    Formula
    C6H8O4
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    RACEMIC
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    144.1256
    Optical activity
    ( + / - )
    Stereo centers
    1
    Molfile

    Marvin 01132100432D 10 10 0 0 0 0 999 V2000 16.6919 -5.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6919 -4.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9775 -4.4826 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 15.9775 -3.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 -3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 -2.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 -3.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8341 -3.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 -4.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 -4.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 10 3 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 10 9 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    679b8ecd-d2b6-4b31-8b44-06ae255c8dc5
Structure
ID
f802764d-e54d-c178-3041-0dfce111a7eb
Smiles
C1C(CO)OC=C(C1=O)O
Formula
C6H8O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
RACEMIC
Defined stereo
0
Ez centers
0
Molecular weight
144.1256
Optical activity
( + / - )
Stereo centers
1
Stereo comments
Assumed racemic
Molfile

13879741 Marvin 01132112512D 10 10 0 0 0 0 999 V2000 15.2630 -4.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6919 -5.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 -2.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8341 -3.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9775 -4.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9775 -3.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6919 -4.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 -3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 -3.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 -4.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 M END

References
8300de8a-1752-4b7e-b896-9cf9065c45d1
Modifications
Uuid
79eec0f3-8738-42fd-bd80-749359ed507b
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Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.