[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate

C8H11N3O7 — CID 90908353

IUPAC[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate
SMILES[N-]=[N+]=N[C@H]1C(OC=O)[C@H](O)C(COC=O)O[C@H]1O
InChIInChI=1S/C8H11N3O7/c9-11-10-5-7(17-3-13)6(14)4(1-16-2-12)18-8(5)15/h2-8,14-15H,1H2/t4?,5-,6+,7?,8+/m0/s1
InChIKeyRFCGHGGMGIBYSH-ZMZKTPDWSA-N
MW261.19 g/mol
LogP-1.54
Rot. Bonds6

About [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate

[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate (PubChem CID 90908353) has the molecular formula C8H11N3O7 and a molecular weight of 261.19 g/mol. Its IUPAC name is [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate.

Molecular Properties

Compound Name[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate
PubChem CID90908353
Molecular FormulaC8H11N3O7
Molecular Weight261.19 g/mol
Exact Mass261.06
IUPAC Name[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate
SMILES[N-]=[N+]=N[C@H]1C(OC=O)[C@H](O)C(COC=O)O[C@H]1O
InChIInChI=1S/C8H11N3O7/c9-11-10-5-7(17-3-13)6(14)4(1-16-2-12)18-8(5)15/h2-8,14-15H,1H2/t4?,5-,6+,7?,8+/m0/s1
InChIKeyRFCGHGGMGIBYSH-ZMZKTPDWSA-N
XLogP-1.54
TPSA151.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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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Frequently Asked Questions

What is the IUPAC name of [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate?
The IUPAC name of [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate (CID 90908353) is [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate.
What is the SMILES notation for [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate?
The canonical SMILES for [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate is [N-]=[N+]=N[C@H]1C(OC=O)[C@H](O)C(COC=O)O[C@H]1O.
What is the InChIKey of [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate?
The InChIKey is RFCGHGGMGIBYSH-ZMZKTPDWSA-N. The full InChI is InChI=1S/C8H11N3O7/c9-11-10-5-7(17-3-13)6(14)4(1-16-2-12)18-8(5)15/h2-8,14-15H,1H2/t4?,5-,6+,7?,8+/m0/s1.
What are the key properties of [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate?
[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate has a molecular weight of 261.19 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate is sourced from PubChem (CID 90908353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).