[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid

C14H17NO6P2 — CID 87477785

IUPAC[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid
SMILESO=P(O)(O)N(Cc1ccccc1)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C14H17NO6P2/c16-22(17,18)15(11-13-7-3-1-4-8-13)23(19,20)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H2,16,17,18)
InChIKeyKBRTYKSTKKWQJE-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.90
Rot. Bonds7

About [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid

[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid (PubChem CID 87477785) has the molecular formula C14H17NO6P2 and a molecular weight of 357.24 g/mol. Its IUPAC name is [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid.

Molecular Properties

Compound Name[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid
PubChem CID87477785
Molecular FormulaC14H17NO6P2
Molecular Weight357.24 g/mol
Exact Mass357.05
IUPAC Name[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid
SMILESO=P(O)(O)N(Cc1ccccc1)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C14H17NO6P2/c16-22(17,18)15(11-13-7-3-1-4-8-13)23(19,20)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H2,16,17,18)
InChIKeyKBRTYKSTKKWQJE-UHFFFAOYSA-N
XLogP2.90
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dibenzyl benzylphosphoramidate
CID 275759
Amino(phenyl)methyl(hydroxy(phenyl)methyl)phosphinic acid
CID 46885903
Dibenzyl phosphoramidate
CID 227052
Ammonium dibenzyl phosphate
CID 18763575
N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
CID 11131408
1-Fluoro-4-[isocyano(phosphorosooxy)methyl]benzene
CID 164702050
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid
CID 10098710
1-phenyl-N-[phenyl(phenylmethoxy)phosphoryl]methanamine
CID 143869057
N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine
CID 11438010
N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine
CID 11461199
N-diethoxyphosphoryl-1-phenyl-N-phenylmethoxymethanamine
CID 85923156

Frequently Asked Questions

What is the IUPAC name of [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid?
The IUPAC name of [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid (CID 87477785) is [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid.
What is the SMILES notation for [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid?
The canonical SMILES for [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid is O=P(O)(O)N(Cc1ccccc1)P(=O)(O)OCc1ccccc1.
What is the InChIKey of [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid?
The InChIKey is KBRTYKSTKKWQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6P2/c16-22(17,18)15(11-13-7-3-1-4-8-13)23(19,20)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H2,16,17,18).
What are the key properties of [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid?
[benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid has a molecular weight of 357.24 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-[hydroxy(phenylmethoxy)phosphoryl]amino]phosphonic acid is sourced from PubChem (CID 87477785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).