[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate

C14H20N3O6P — CID 101189575

IUPAC[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate
SMILESCOP(=O)(OC)[C@@H](OC(C)=O)[C@H](CN=[N+]=[N-])OCc1ccccc1
InChIInChI=1S/C14H20N3O6P/c1-11(18)23-14(24(19,20-2)21-3)13(9-16-17-15)22-10-12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyFYRGAKIOVBAPLB-UONOGXRCSA-N
MW357.30 g/mol
LogP3.26
Rot. Bonds10

About [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate

[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate (PubChem CID 101189575) has the molecular formula C14H20N3O6P and a molecular weight of 357.30 g/mol. Its IUPAC name is [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate
PubChem CID101189575
Molecular FormulaC14H20N3O6P
Molecular Weight357.30 g/mol
Exact Mass357.11
IUPAC Name[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate
SMILESCOP(=O)(OC)[C@@H](OC(C)=O)[C@H](CN=[N+]=[N-])OCc1ccccc1
InChIInChI=1S/C14H20N3O6P/c1-11(18)23-14(24(19,20-2)21-3)13(9-16-17-15)22-10-12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyFYRGAKIOVBAPLB-UONOGXRCSA-N
XLogP3.26
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-4-azido-3-methyl-2-phenylmethoxybutanoic acid
CID 157294780
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
methyl (2R,3R,4R)-3-amino-5-azido-2-[benzyl(methyl)amino]-4-phenylmethoxypentanoate
CID 62706272
(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
CID 18654073
(1-methoxy-2-phenylmethoxy-3-propan-2-yloxypropyl) acetate
CID 19748418
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920
3-azido-2-phenylmethoxypropanal
CID 130004617
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
[(2R)-1-azido-3-phenylsulfanylpropan-2-yl] acetate
CID 102211334
(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
CID 101068685
[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
CID 10108329
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate?
The IUPAC name of [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate (CID 101189575) is [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate.
What is the SMILES notation for [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate?
The canonical SMILES for [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate is COP(=O)(OC)[C@@H](OC(C)=O)[C@H](CN=[N+]=[N-])OCc1ccccc1.
What is the InChIKey of [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate?
The InChIKey is FYRGAKIOVBAPLB-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N3O6P/c1-11(18)23-14(24(19,20-2)21-3)13(9-16-17-15)22-10-12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate?
[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate has a molecular weight of 357.30 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate is sourced from PubChem (CID 101189575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).