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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as:

Molecular Formula

C₃H₈O₆P-

Molecular Weight

171.07 g/mol

InChI Key

AWUCVROLDVIAJX-GSVOUGTGSA-M

1 2D Structure

Phospholipid DPPC

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-2,3-dihydroxypropyl] hydrogen phosphate

2.1.2 InChI

InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-1/t3-/m1/s1

2.1.3 InChI Key

AWUCVROLDVIAJX-GSVOUGTGSA-M

2.1.4 Canonical SMILES

C(C(COP(=O)(O)[O-])O)O

2.1.5 Isomeric SMILES

C([C@H](COP(=O)(O)[O-])O)O

2.2 Create Date

2014-01-07

3 Chemical and Physical Properties

Molecular Formula	C₃H₈O₆P-
Molecular Weight	171.07 g/mol
XLogP3	-2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	171.00584997 g/mol
Monoisotopic Mass	171.00584997 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	10
Formal Charge	-1
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1