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Coatsome MA 8080LS

CAT: 0572-TRC-C561010-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C561010-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108321-18-2
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Na])OC(=O)CCCCCCCCCCCCCCCCC
Molecular Formula
C39 H76 Na O8 P
Molecular Weight
726.98
InChI
InChI=1S/C39H77O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/t37-;/m1./s1
Additionnal Information
IUPAC name: [[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxysodium
Shipping Conditions
Room Temperature

Chemical Information

Sodium (R)-2,3-bis(stearoyloxy)propyl hydrogenphosphate

1,2-Distearoyl-sn-glycero-3-phosphate (sodium salt) is a phosphatidic acid.

CAS Number108321-18-2
PubChem CID45051559
IUPAC Namesodium [(2R)-2,3-di(octadecanoyloxy)propyl] hydrogen phosphate
Molecular FormulaC39H76NaO8P
Molecular Weight727.0
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Heavy Atom Count49
Formal Charge0
Complexity769
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C39H77O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/t37-;/m1./s1
InChIKey
ALPWRKFXEOAUDR-GKEJWYBXSA-M
Chemical Structure
2D Structure
2D structure of Sodium (R)-2,3-bis(stearoyloxy)propyl hydrogenphosphate
CAS: 108321-18-2
CID: 45051559
Formula: C39H76NaO8P
MW: 727.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight727.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Exact Mass726.51755066
Monoisotopic Mass726.51755066
Topological Polar Surface Area122 Ų
Heavy Atom Count49
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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