(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C34H35N3O5 — CID 54116735

IUPAC(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILES[N-]=[N+]=N[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H35N3O5/c35-37-36-34-33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(42-34)25-38-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33+,34+/m1/s1
InChIKeyNKVQKPBQIGZTBQ-ZOHVZMGWSA-N
MW565.67 g/mol
LogP6.99
Rot. Bonds14

About (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 54116735) has the molecular formula C34H35N3O5 and a molecular weight of 565.67 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID54116735
Molecular FormulaC34H35N3O5
Molecular Weight565.67 g/mol
Exact Mass565.26
IUPAC Name(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILES[N-]=[N+]=N[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H35N3O5/c35-37-36-34-33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(42-34)25-38-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33+,34+/m1/s1
InChIKeyNKVQKPBQIGZTBQ-ZOHVZMGWSA-N
XLogP6.99
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 56.99
H-Bond Donors ≤ 50
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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Related Compounds

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CID 11027759
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
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(2S,3S,4S,5S,6R)-3-azido-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2lambda5-oxaphosphinane 2-oxide
CID 70687983
(2S,3R,4S,5S,6R)-3-azido-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2lambda5-oxaphosphinane 2-oxide
CID 70692171
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 11800221
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853
(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine Hydrochloride
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3,4,5-Tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 76522009
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131632833
(3R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131700684
(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 11017093
(2S,3R,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11699739

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 54116735) is (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is [N-]=[N+]=N[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is NKVQKPBQIGZTBQ-ZOHVZMGWSA-N. The full InChI is InChI=1S/C34H35N3O5/c35-37-36-34-33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(42-34)25-38-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33+,34+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 565.67 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 54116735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).