2-(phosphonomethyl)pentanedioic acid

2-(phosphonomethyl)pentanedioic acid

CAS: 173039-10-6

Formula: C6H11O7P

SMILES: OC(=O)CCC(CP(O)(O)=O)C(O)=O

IUPAC: 2-(phosphonomethyl)pentanedioic acid

InChI: InChI=1/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)

Composition: C (31.87%), H (4.90%), O (49.53%), P (13.70%)

Molar Mass: 226.121

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	226.024239692
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	ISEYJGQFXSTPMQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.53
Topological Polar Surface Area	132.13
Polarizability	17.52
Ring Count	0
Rotatable Bond Count	6

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Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	173039-10-6		$46.63-$347.04$46.63$71.85$144.47$209.45$347.04