DSPC

CAT: 1118-LP-R4-076-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1118-LP-R4-076-01Size:100 mg

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CAS Number

816-94-4

Purity

≥99% (HPTLC)

Molecular Weight

790.15

Chemical Information

1,2-Distearoyl-sn-glycero-3-phosphocholine

1,2-distearoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 36:0 in which both phosphatidyl acyl groups are specified as stearoyl (octadecanoyl). It is functionally related to an octadecanoic acid.

CAS Number	816-94-4
PubChem CID	94190
IUPAC Name	[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C44H88NO8P
Molecular Weight	790.1
XLogP	15.6
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	44
Heavy Atom Count	54
Formal Charge	0
Complexity	888

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1

InChIKey

NRJAVPSFFCBXDT-HUESYALOSA-N

Chemical Structure

2D Structure

CAS: 816-94-4

CID: 94190

Formula: C44H88NO8P

MW: 790.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	790.1
XLogP3	15.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	44
Exact Mass	789.62475576
Monoisotopic Mass	789.62475576
Topological Polar Surface Area	111 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	888
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
Compound Is Canonicalized	Yes

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