(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol

C7H13N3O4 — CID 10058692

IUPAC(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
SMILESCOC1O[C@@H]([C@@H](C)O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O4/c1-3(11)6-5(12)4(9-10-8)7(13-2)14-6/h3-7,11-12H,1-2H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyGOLYRKUCJMUDJF-QTSLKERKSA-N
MW203.20 g/mol
LogP-0.22
Rot. Bonds3

About (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol

(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol (PubChem CID 10058692) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
PubChem CID10058692
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
SMILESCOC1O[C@@H]([C@@H](C)O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O4/c1-3(11)6-5(12)4(9-10-8)7(13-2)14-6/h3-7,11-12H,1-2H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyGOLYRKUCJMUDJF-QTSLKERKSA-N
XLogP-0.22
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
CID 155490214
(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
CID 101128015
[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
CID 23249240
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
(3S,4R,6S)-5-azido-4-butoxy-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 89468055
(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol
CID 101098070
(2S,4aR,6S,7S,8S,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 100900575
(6R,7R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 58097823

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol?
The IUPAC name of (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol (CID 10058692) is (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol is COC1O[C@@H]([C@@H](C)O)[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol?
The InChIKey is GOLYRKUCJMUDJF-QTSLKERKSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-3(11)6-5(12)4(9-10-8)7(13-2)14-6/h3-7,11-12H,1-2H3/t3-,4-,5-,6+,7?/m1/s1.
What are the key properties of (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol?
(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol has a molecular weight of 203.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol is sourced from PubChem (CID 10058692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).