P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]

C₃H₁₁NO₇P₂CAS 40391-99-9235.07 g/mol

Open in Covalent MOL file

Alcohol Phosphonate Primary amine

Properties

Molecular formula: C₃H₁₁NO₇P₂
Molar mass: 235.07 g/mol
Exact mass: 235.0011 Da
Melting point: below 300 °C
logP: -1.66Crippen estimate
Polar surface area: 161.3 Å²
H-bond donors / acceptors: 6 / 4
Rotatable bonds: 4

Identifiers

CAS number

40391-99-9

SMILES

NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChIKey

WRUUGTRCQOWXEG-UHFFFAOYSA-N

InChI

InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-
3-Amino-1-hydroxypropane-1,1-diphosphonic acid
Propane-1-hydroxy-3-amino-1,1-diphosphonic acid
(3-Amino-1-hydroxypropylidene)-1,1-bisphosphonate
Pamidronic acid
Amidronic acid
(α-Hydroxy-γ-aminopropylidene)diphosphonic acid
3-Amino-1-hydroxypropylidenediphosphonic acid
AHPrBP
ADP
3-Amino-1-hydroxypropylidene-1,1-bisphosphonic acid
(3-Amino-1-hydroxypropylidene)bisphosphonic acid
Panolin
BPH 5
1-Hydroxy-3-aminopropane-1,1-diphosphonic acid
(3-Amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid)
(3-Amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
Phosphonic acid, P,P′-(3-amino-1-hydroxypropylidene)bis-

Work with P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Alendronic acid66376-36-177 % similar Pamidronate disodium57248-88-166 % similar Disodium pamidronate pentahydrate109552-15-060 % similar Alendronate sodium129318-43-051 % similar Alendronate monosodium trihydrate121268-17-548 % similar Ibandronate114084-78-541 % similar Zoledronic acid118072-93-837 % similar Risedronate105462-24-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook