(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol

C13H17N3O5 — CID 58971944

IUPAC(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
SMILES[N-]=[N+]=NC1[C@H](O)C(O)O[C@H]1C(O)COCc1ccccc1
InChIInChI=1S/C13H17N3O5/c14-16-15-10-11(18)13(19)21-12(10)9(17)7-20-6-8-4-2-1-3-5-8/h1-5,9-13,17-19H,6-7H2/t9?,10?,11-,12-,13?/m0/s1
InChIKeyCFICBOCDEPTDIK-DNDUJMJNSA-N
MW295.30 g/mol
LogP0.32
Rot. Bonds6

About (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol

(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol (PubChem CID 58971944) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
PubChem CID58971944
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
SMILES[N-]=[N+]=NC1[C@H](O)C(O)O[C@H]1C(O)COCc1ccccc1
InChIInChI=1S/C13H17N3O5/c14-16-15-10-11(18)13(19)21-12(10)9(17)7-20-6-8-4-2-1-3-5-8/h1-5,9-13,17-19H,6-7H2/t9?,10?,11-,12-,13?/m0/s1
InChIKeyCFICBOCDEPTDIK-DNDUJMJNSA-N
XLogP0.32
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(3aR,5S,6aS)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 71166969
(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
CID 71264492
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 102207627
(1S,2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 10876698
(3R,4R,6R)-5-azido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 59621111
(1S,2S,3S,4R,5S,6S)-2-[(2S,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11051363
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
[(1S)-2-phenylmethoxy-1-[(2S,3R,4S)-3,4,5-trihydroxyoxolan-2-yl]ethyl] methanesulfonate
CID 101148234
(1S,2R,3S,4S,5R,6S)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 11240319
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol
CID 11494738

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol?
The IUPAC name of (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol (CID 58971944) is (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol.
What is the SMILES notation for (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol?
The canonical SMILES for (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol is [N-]=[N+]=NC1[C@H](O)C(O)O[C@H]1C(O)COCc1ccccc1.
What is the InChIKey of (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol?
The InChIKey is CFICBOCDEPTDIK-DNDUJMJNSA-N. The full InChI is InChI=1S/C13H17N3O5/c14-16-15-10-11(18)13(19)21-12(10)9(17)7-20-6-8-4-2-1-3-5-8/h1-5,9-13,17-19H,6-7H2/t9?,10?,11-,12-,13?/m0/s1.
What are the key properties of (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol?
(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol has a molecular weight of 295.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol is sourced from PubChem (CID 58971944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).