Structure

1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate(monosodium salt)

CAS
384833-24-3
Catalog Number
ACM384833243
Category
Other Products
Molecular Weight
725
Molecular Formula
C39H74NaO8P

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Specification

Synonyms
18:0-18:1 PA
IUPAC Name
Sodium;[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
InChI
InChI=1S/C39H75O8P.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;/h18,20,37H,3-17,19,21-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/b20-18-;/t37-;/m1./s1
InChI Key
QTWIAVIWKTYOHY-HTNAYUJGSA-M
Complexity
810
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Exact Mass
724.50190059
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
49
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
1
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Monoisotopic Mass
724.50190059
Physical State
Liquid
Rotatable Bond Count
39
Storage Conditions
-20 °C
Topological Polar Surface Area
122 Ų
What is the CAS number of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

The CAS number is 384833-24-3.

What is the molecular weight of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

The molecular weight is 725.0g/mol.

How many heavy atoms are present in the molecular formula of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

There are 49 heavy atoms.

What is the IUPAC name of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

The IUPAC name is sodium;[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate.

How many hydrogen bond acceptors are present in 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

There are 8 hydrogen bond acceptors.

What is the exact mass of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

The exact mass is 724.50190059.

What is the InChIKey of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

The InChIKey is QTWIAVIWKTYOHY-HTNAYUJGSA-M.

How many rotatable bonds are present in the structure of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

There are 39 rotatable bonds.

What are some of the depositor-supplied synonyms for 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphate (monosodium salt)?

Some synonyms include 18:0-18:1 PA, 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate (sodium salt), and DTXSID50677120.

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