(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol

C7H12N6O3 — CID 101338794

IUPAC(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H12N6O3/c1-3-4(10-12-8)6(14)5(11-13-9)7(15-2)16-3/h3-7,14H,1-2H3/t3-,4+,5+,6+,7+/m0/s1
InChIKeyCFTOVUMMLZUTRW-CQOGJGKDSA-N
MW228.21 g/mol
LogP1.10
Rot. Bonds3

About (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol

(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol (PubChem CID 101338794) has the molecular formula C7H12N6O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
PubChem CID101338794
Molecular FormulaC7H12N6O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC Name(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H12N6O3/c1-3-4(10-12-8)6(14)5(11-13-9)7(15-2)16-3/h3-7,14H,1-2H3/t3-,4+,5+,6+,7+/m0/s1
InChIKeyCFTOVUMMLZUTRW-CQOGJGKDSA-N
XLogP1.10
TPSA136.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
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

(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,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
CID 10058692
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(3S,5S,6R)-6-[(3S,5S,6S)-5-azido-2-ethyl-6-methoxy-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 118944847
(2R,3R,4aS,5S,7R,8S,8aS)-8-azido-2,3,7-trimethoxy-2,3,5-trimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
CID 139065148
[(2R,3S,4S,5R,6S)-2-acetyloxy-3,5-diazido-6-methyloxan-4-yl] acetate
CID 23249254
[(4S,5S)-2-acetyloxy-5-azido-4,6-dimethyloxan-3-yl] acetate
CID 118933629
(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
CID 155490214
(2S,3S,4S,5S,6S)-5-acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyloxan-4-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
CID 101025929

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol?
The IUPAC name of (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol (CID 101338794) is (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol?
The canonical SMILES for (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol is CO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol?
The InChIKey is CFTOVUMMLZUTRW-CQOGJGKDSA-N. The full InChI is InChI=1S/C7H12N6O3/c1-3-4(10-12-8)6(14)5(11-13-9)7(15-2)16-3/h3-7,14H,1-2H3/t3-,4+,5+,6+,7+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol?
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol has a molecular weight of 228.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol is sourced from PubChem (CID 101338794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).