(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol

C34H35N3O5 — CID 11606557

IUPAC(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
SMILES[N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C34H35N3O5/c35-37-36-29-30(38)32(40-22-26-15-7-2-8-16-26)34(42-24-28-19-11-4-12-20-28)33(41-23-27-17-9-3-10-18-27)31(29)39-21-25-13-5-1-6-14-25/h1-20,29-34,38H,21-24H2/t29-,30-,31+,32?,33-,34-/m1/s1
InChIKeySYWHDBUBJMCVGX-OZSYDLJESA-N
MW565.67 g/mol
LogP6.38
Rot. Bonds13

About (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol

(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol (PubChem CID 11606557) has the molecular formula C34H35N3O5 and a molecular weight of 565.67 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
PubChem CID11606557
Molecular FormulaC34H35N3O5
Molecular Weight565.67 g/mol
Exact Mass565.26
IUPAC Name(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
SMILES[N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C34H35N3O5/c35-37-36-29-30(38)32(40-22-26-15-7-2-8-16-26)34(42-24-28-19-11-4-12-20-28)33(41-23-27-17-9-3-10-18-27)31(29)39-21-25-13-5-1-6-14-25/h1-20,29-34,38H,21-24H2/t29-,30-,31+,32?,33-,34-/m1/s1
InChIKeySYWHDBUBJMCVGX-OZSYDLJESA-N
XLogP6.38
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 56.38
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol (CID 11606557) is (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol is [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is SYWHDBUBJMCVGX-OZSYDLJESA-N. The full InChI is InChI=1S/C34H35N3O5/c35-37-36-29-30(38)32(40-22-26-15-7-2-8-16-26)34(42-24-28-19-11-4-12-20-28)33(41-23-27-17-9-3-10-18-27)31(29)39-21-25-13-5-1-6-14-25/h1-20,29-34,38H,21-24H2/t29-,30-,31+,32?,33-,34-/m1/s1.
What are the key properties of (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
(1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 565.67 g/mol, XLogP of 6.38, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R,6S)-2-azido-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 11606557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).