DPPS, Na

CAT: 1118-LP-R4-081-04Size: 1 gDry Ice: NoHazardous: No

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CAT#:1118-LP-R4-081-04Size:1 g

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CAS Number

145849-32-7

Purity

≥99% (HPTLC)

Molecular Weight

757.95

Chemical Information

Sodium (2S,8R)-2-azaniumyl-8-(hexadecanoyloxy)-5-oxido-5,11-dioxo-4,6,10-trioxa-5lambda~5~-phosphahexacosan-1-oate

CAS Number	145849-32-7
PubChem CID	46891791
IUPAC Name	sodium (2S)-2-azaniumyl-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate
Molecular Formula	C38H73NNaO10P
Molecular Weight	757.9
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	39
Heavy Atom Count	51
Formal Charge	0
Complexity	861

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C38H74NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45);/q;+1/p-1/t34-,35+;/m1./s1

InChIKey

GTLXLANTBWYXGW-CEGNZRHUSA-M

Chemical Structure

2D Structure

CAS: 145849-32-7

CID: 46891791

Formula: C38H73NNaO10P

MW: 757.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	757.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	39
Exact Mass	757.48697881
Monoisotopic Mass	757.48697881
Topological Polar Surface Area	179 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	861
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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MBS5825530	DPPS

DPPS, Na

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