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Structure

1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)

CAS
474943-29-8
Catalog Number
ACM474943298
Category
Other Products
Molecular Weight
722.9
Molecular Formula
C39H72NaO8P

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Specification

Synonyms
18:0-18:2 PA
IUPAC Name
Sodium;[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] hydrogen phosphate
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI
InChI=1S/C39H73O8P.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;/h12,14,18,20,37H,3-11,13,15-17,19,21-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/b14-12-,20-18-;/t37-;/m1./s1
InChI Key
QCCKEVYCMGRONT-ZNKFQGFOSA-M
Complexity
851
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Exact Mass
722.48625053
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\C/C=C\CCCCC.[Na+]
Monoisotopic Mass
722.48625053
Physical State
Liquid
Rotatable Bond Count
38
Storage Conditions
-20 °C
Topological Polar Surface Area
122 Ų
What is the IUPAC name of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)?

Sodium (2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(octadecanoyloxy)propyl hydrogen phosphate.

What is the molecular formula of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)?

C39H72NaO8P.

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

722.9g/mol.

What is the CAS number of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)?

474943-29-8.

How many hydrogen bond acceptors does 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt) have?

8.

What is the canonical SMILES representation of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)?

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]

How many heavy atoms are present in 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt)?

49.

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

722.48625053.

How many rotatable bonds does 1-Steraoyl-2-linoleoyl-sn-glycero-3-phosphate(monosodium salt) have?

38.

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

QCCKEVYCMGRONT-ZNKFQGFOSA-M.

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