(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol

C11H19N3O6 — CID 10779773

IUPAC(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
SMILESCOCOCC1=C[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1OCOC
InChIInChI=1S/C11H19N3O6/c1-17-5-19-4-7-3-8(13-14-12)9(15)10(16)11(7)20-6-18-2/h3,8-11,15-16H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyNOTYJSVZVZLHGE-UKKRHICBSA-N
MW289.29 g/mol
LogP-0.06
Rot. Bonds8

About (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol

(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol (PubChem CID 10779773) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
PubChem CID10779773
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
SMILESCOCOCC1=C[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1OCOC
InChIInChI=1S/C11H19N3O6/c1-17-5-19-4-7-3-8(13-14-12)9(15)10(16)11(7)20-6-18-2/h3,8-11,15-16H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyNOTYJSVZVZLHGE-UKKRHICBSA-N
XLogP-0.06
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
CID 20651714
6-Azido-2-(methoxymethoxy)-4-methylcyclohex-3-en-1-ol
CID 53722443
(1S,2R,6R)-6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
CID 60027114
2-[4-Amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-6-ethyloxane-3,4,5-triol
CID 60041049
(3aS,4R,7S,7aS)-7-azido-4-(methoxymethoxy)-5-(methoxymethoxymethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole
CID 10520383
(1S,2R,3R,6S)-6-amino-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
CID 10825422
(3aS,4R,7S,7aS)-7-azido-5-(hydroxymethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 44466814
(3R,4S,5R,6R)-4-[(1R,4S,5S)-4-azido-5-hydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 50916197
(3R,4R,5R,6R)-3-azido-4,5,6-tris(methoxymethoxy)-1-methylcyclohexene
CID 101155046
(3R,4S,5S,6S)-3-azido-4,5,6-tris(methoxymethoxy)-1-methylcyclohexene
CID 101155047
(3S,4R,5R,6R)-3-azido-4,5,6-tris(methoxymethoxy)-1-methylcyclohexene
CID 101155048
(3S,4S,5S,6S)-3-azido-4,5,6-tris(methoxymethoxy)-1-methylcyclohexene
CID 101155049

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol?
The IUPAC name of (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol (CID 10779773) is (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol is COCOCC1=C[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1OCOC.
What is the InChIKey of (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol?
The InChIKey is NOTYJSVZVZLHGE-UKKRHICBSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-17-5-19-4-7-3-8(13-14-12)9(15)10(16)11(7)20-6-18-2/h3,8-11,15-16H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol?
(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol has a molecular weight of 289.29 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 10779773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).