(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol

C18H22N3O4P — CID 11326318

IUPAC(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol
SMILESC[C@@H](N=[N+]=[N-])[C@@H](O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22N3O4P/c1-15(20-21-19)18(22)14-26(23,24-12-16-8-4-2-5-9-16)25-13-17-10-6-3-7-11-17/h2-11,15,18,22H,12-14H2,1H3/t15-,18+/m1/s1
InChIKeyVBTSEFCAQYLACU-QAPCUYQASA-N
MW375.37 g/mol
LogP4.67
Rot. Bonds10

About (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol

(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol (PubChem CID 11326318) has the molecular formula C18H22N3O4P and a molecular weight of 375.37 g/mol. Its IUPAC name is (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol
PubChem CID11326318
Molecular FormulaC18H22N3O4P
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol
SMILESC[C@@H](N=[N+]=[N-])[C@@H](O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22N3O4P/c1-15(20-21-19)18(22)14-26(23,24-12-16-8-4-2-5-9-16)25-13-17-10-6-3-7-11-17/h2-11,15,18,22H,12-14H2,1H3/t15-,18+/m1/s1
InChIKeyVBTSEFCAQYLACU-QAPCUYQASA-N
XLogP4.67
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.67
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 10591556
CID 91304105
CID 91304105
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
benzyl (2S,3S)-2-azido-3-hydroxy-4-methylpentanoate
CID 10849146
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
benzyl tert-butyl hydrogen phosphate
CID 140989025
[2,12-dimethyltridecyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 54092599
1-phenylmethoxyethylphosphonic acid
CID 174787824
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
dibenzyl hydrogen phosphate;silver
CID 85301331

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol?
The IUPAC name of (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol (CID 11326318) is (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol is C[C@@H](N=[N+]=[N-])[C@@H](O)CP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol?
The InChIKey is VBTSEFCAQYLACU-QAPCUYQASA-N. The full InChI is InChI=1S/C18H22N3O4P/c1-15(20-21-19)18(22)14-26(23,24-12-16-8-4-2-5-9-16)25-13-17-10-6-3-7-11-17/h2-11,15,18,22H,12-14H2,1H3/t15-,18+/m1/s1.
What are the key properties of (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol?
(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol has a molecular weight of 375.37 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol is sourced from PubChem (CID 11326318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).