(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol

C10H22N3O6P — CID 22880057

IUPAC(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol
SMILESCC(C)OP(=O)(COO[C@@H](CO)CN=[N+]=[N-])OC(C)C
InChIInChI=1S/C10H22N3O6P/c1-8(2)18-20(15,19-9(3)4)7-16-17-10(6-14)5-12-13-11/h8-10,14H,5-7H2,1-4H3/t10-/m1/s1
InChIKeySXWQYGRTVCXBIT-SNVBAGLBSA-N
MW311.28 g/mol
LogP2.61
Rot. Bonds11

About (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol

(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol (PubChem CID 22880057) has the molecular formula C10H22N3O6P and a molecular weight of 311.28 g/mol. Its IUPAC name is (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol
PubChem CID22880057
Molecular FormulaC10H22N3O6P
Molecular Weight311.28 g/mol
Exact Mass311.12
IUPAC Name(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol
SMILESCC(C)OP(=O)(COO[C@@H](CO)CN=[N+]=[N-])OC(C)C
InChIInChI=1S/C10H22N3O6P/c1-8(2)18-20(15,19-9(3)4)7-16-17-10(6-14)5-12-13-11/h8-10,14H,5-7H2,1-4H3/t10-/m1/s1
InChIKeySXWQYGRTVCXBIT-SNVBAGLBSA-N
XLogP2.61
TPSA122.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 71369485
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481121
1-azido-3-methylpentan-2-ol
CID 116691796
(1-azido-3-diethoxyphosphorylpropan-2-yl) 3-chloropropanoate
CID 11163235
azido propan-2-yl hydrogen phosphate
CID 23045995
propan-2-yl 6-azido-5-methoxy-3-oxohexanoate
CID 11459174
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
5-azidopentane-1,2,4-triol
CID 90777098
1-azido-4,5,6-trihydroxy-2-methoxyhexan-3-one
CID 54353674
6-[[(2S)-4-azido-2-[di(propan-2-yloxy)phosphorylmethoxy]butyl]amino]-1H-pyrimidin-2-one
CID 151057047

Frequently Asked Questions

What is the IUPAC name of (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol?
The IUPAC name of (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol (CID 22880057) is (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol.
What is the SMILES notation for (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol?
The canonical SMILES for (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol is CC(C)OP(=O)(COO[C@@H](CO)CN=[N+]=[N-])OC(C)C.
What is the InChIKey of (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol?
The InChIKey is SXWQYGRTVCXBIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N3O6P/c1-8(2)18-20(15,19-9(3)4)7-16-17-10(6-14)5-12-13-11/h8-10,14H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol?
(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol has a molecular weight of 311.28 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol is sourced from PubChem (CID 22880057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).