3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione

C10H11N3O7 — CID 135625322

IUPAC3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione
SMILESO=c1[nH]c(=O)c2[nH]nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2o1
InChIInChI=1S/C10H11N3O7/c14-1-2-5(15)6(16)8(19-2)3-7-4(13-12-3)9(17)11-10(18)20-7/h2,5-6,8,14-16H,1H2,(H,12,13)(H,11,17,18)/t2-,5-,6-,8+/m1/s1
InChIKeyFAIQCMQKVDJZSI-KUJIYDMHSA-N
MW285.21 g/mol
LogP-2.64
Rot. Bonds2

About 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione (PubChem CID 135625322) has the molecular formula C10H11N3O7 and a molecular weight of 285.21 g/mol. Its IUPAC name is 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione.

Molecular Properties

Compound Name3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione
PubChem CID135625322
Molecular FormulaC10H11N3O7
Molecular Weight285.21 g/mol
Exact Mass285.06
IUPAC Name3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione
SMILESO=c1[nH]c(=O)c2[nH]nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2o1
InChIInChI=1S/C10H11N3O7/c14-1-2-5(15)6(16)8(19-2)3-7-4(13-12-3)9(17)11-10(18)20-7/h2,5-6,8,14-16H,1H2,(H,12,13)(H,11,17,18)/t2-,5-,6-,8+/m1/s1
InChIKeyFAIQCMQKVDJZSI-KUJIYDMHSA-N
XLogP-2.64
TPSA161.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione with MolForge

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Related Compounds

Pyrazofurin
CID 135413551
Pyrozofurin
CID 135447984
5'-Deoxypyrazofurin
CID 135459767
Pyrazomycin B
CID 135409941
3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
CID 135976433
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxy-1H-pyrazole-5-carboxamide
CID 136491915
Pyrazofurin, >=98% (HPLC)
CID 136153629
5-Amino-3-ribofuranosylpyrazolo(3,4-e)(1,3)oxazine-7-one
CID 135625263
3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
CID 137234703
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
CID 137308991
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
CID 136415652
3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
CID 136415653

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione?
The IUPAC name of 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione (CID 135625322) is 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione.
What is the SMILES notation for 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione?
The canonical SMILES for 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione is O=c1[nH]c(=O)c2[nH]nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2o1.
What is the InChIKey of 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione?
The InChIKey is FAIQCMQKVDJZSI-KUJIYDMHSA-N. The full InChI is InChI=1S/C10H11N3O7/c14-1-2-5(15)6(16)8(19-2)3-7-4(13-12-3)9(17)11-10(18)20-7/h2,5-6,8,14-16H,1H2,(H,12,13)(H,11,17,18)/t2-,5-,6-,8+/m1/s1.
What are the key properties of 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione?
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione has a molecular weight of 285.21 g/mol, XLogP of -2.64, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[5,4-e][1,3]oxazine-5,7-dione is sourced from PubChem (CID 135625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).