[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid

C15H19NO7P2 — CID 16754559

IUPAC[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid
SMILESNCCC(O)(P(=O)(O)Oc1ccccc1)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C15H19NO7P2/c16-12-11-15(17,24(18,19)22-13-7-3-1-4-8-13)25(20,21)23-14-9-5-2-6-10-14/h1-10,17H,11-12,16H2,(H,18,19)(H,20,21)
InChIKeyHINZFKLXYXIUPV-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.51
Rot. Bonds8

About [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid

[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid (PubChem CID 16754559) has the molecular formula C15H19NO7P2 and a molecular weight of 387.26 g/mol. Its IUPAC name is [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid.

Molecular Properties

Compound Name[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid
PubChem CID16754559
Molecular FormulaC15H19NO7P2
Molecular Weight387.26 g/mol
Exact Mass387.06
IUPAC Name[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid
SMILESNCCC(O)(P(=O)(O)Oc1ccccc1)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C15H19NO7P2/c16-12-11-15(17,24(18,19)22-13-7-3-1-4-8-13)25(20,21)23-14-9-5-2-6-10-14/h1-10,17H,11-12,16H2,(H,18,19)(H,20,21)
InChIKeyHINZFKLXYXIUPV-UHFFFAOYSA-N
XLogP2.51
TPSA139.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-dioxoisoindol-2-yl)-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]butyl]-phenoxyphosphinic acid
CID 16754557
bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
CID 6398139
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
(2-amino-1,1-dinitroethyl) phenyl hydrogen phosphate
CID 87143794
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
phenoxy phenyl hydrogen phosphate
CID 172853202
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid?
The IUPAC name of [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid (CID 16754559) is [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid.
What is the SMILES notation for [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid?
The canonical SMILES for [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid is NCCC(O)(P(=O)(O)Oc1ccccc1)P(=O)(O)Oc1ccccc1.
What is the InChIKey of [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid?
The InChIKey is HINZFKLXYXIUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7P2/c16-12-11-15(17,24(18,19)22-13-7-3-1-4-8-13)25(20,21)23-14-9-5-2-6-10-14/h1-10,17H,11-12,16H2,(H,18,19)(H,20,21).
What are the key properties of [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid?
[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid has a molecular weight of 387.26 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid is sourced from PubChem (CID 16754559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).