FODIPIR

2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]acetic acid

CAS: 118248-91-2

Molecular Formula	`C22H32N4O14P2`
Molecular Weight	638.5 g/mol
LogP	-8.1
Topological Polar Surface Area	281.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	18
Rotatable Bonds	17
Exact Mass	638.13904
Heavy Atoms	42
Complexity	907.0

Chemical Identifiers

CAS Number	118248-91-2
SMILES	`CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O`
InChIKey	`SQKUFYLUXROIFM-UHFFFAOYSA-N`

📖 Product Overview

FODIPIR (CAS: 118248-91-2) is a chemical compound with molecular formula C22H32N4O14P2 and molecular weight 638.5 g/mol. Its IUPAC systematic name is 2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]acetic acid. LogP -8.1 Topological Polar Surface Area 281.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 18 Rotatable Bonds 17 Exact Mass 638.13904 Heavy Atoms 42 Complexity 907.0 InChI Key: SQKUFYLUXROIFM-UHFFFAOYSA-N. SMILES: CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O.

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