Compound C7H21N3O11P2

2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]acetyl]amino]acetic acid;dihydrate

CAS: 69408-66-8

Molecular Formula	`C7H21N3O11P2`
Molecular Weight	385.2 g/mol
Topological Polar Surface Area	222.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	385.06512
Heavy Atoms	23
Complexity	462.0

Chemical Identifiers

CAS Number	69408-66-8
SMILES	`C(CNCC(=O)NCC(=O)O)C(N)(P(=O)(O)O)P(=O)(O)O.O.O`
InChIKey	`PDJHURONABVUCC-UHFFFAOYSA-N`

📖 Product Overview

Compound C7H21N3O11P2 (CAS: 69408-66-8) is a chemical compound with molecular formula C7H21N3O11P2 and molecular weight 385.2 g/mol. Its IUPAC systematic name is 2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]acetyl]amino]acetic acid;dihydrate. Topological Polar Surface Area 222.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 13 Rotatable Bonds 9 Exact Mass 385.06512 Heavy Atoms 23 Complexity 462.0 InChI Key: PDJHURONABVUCC-UHFFFAOYSA-N. SMILES: C(CNCC(=O)NCC(=O)O)C(N)(P(=O)(O)O)P(=O)(O)O.O.O.

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