(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol

C7H13N3O5 — CID 101098070

IUPAC(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C7H13N3O5/c1-15-7-4(12)2(9-10-8)3(11)5(13)6(7)14/h2-7,11-14H,1H3/t2-,3+,4+,5-,6+,7+/m0/s1
InChIKeyKSYQAKZKZNBKKV-NLZQRBTFSA-N
MW219.20 g/mol
LogP-1.86
Rot. Bonds2

About (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol

(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol (PubChem CID 101098070) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol
PubChem CID101098070
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C7H13N3O5/c1-15-7-4(12)2(9-10-8)3(11)5(13)6(7)14/h2-7,11-14H,1H3/t2-,3+,4+,5-,6+,7+/m0/s1
InChIKeyKSYQAKZKZNBKKV-NLZQRBTFSA-N
XLogP-1.86
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
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'}

Analyze (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol with MolForge

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Related Compounds

[(1S,2R,3S,4S,5S,6R)-2-acetyloxy-5-azido-3,4,6-trihydroxycyclohexyl] acetate
CID 102586452
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(2S,3R,4S,5S)-4-azido-2-methoxythiane-3,5-diol
CID 131075351
(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
CID 71264492
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(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
cis-(1R,3S)-2-azidocyclopentane-1,3-diol
CID 130822614
5-amino-4-azido-6-methoxyoxan-3-ol
CID 14456147
(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
CID 10058692
(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
CID 101128015

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol?
The IUPAC name of (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol (CID 101098070) is (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol.
What is the SMILES notation for (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol?
The canonical SMILES for (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol is CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O.
What is the InChIKey of (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol?
The InChIKey is KSYQAKZKZNBKKV-NLZQRBTFSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-15-7-4(12)2(9-10-8)3(11)5(13)6(7)14/h2-7,11-14H,1H3/t2-,3+,4+,5-,6+,7+/m0/s1.
What are the key properties of (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol?
(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol has a molecular weight of 219.20 g/mol, XLogP of -1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol is sourced from PubChem (CID 101098070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).