Vaccine Lab / Alfa Chemistry
1,2-Dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate) (ammonium salt)

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1,2-Dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate) (ammonium salt)

Catalog Number ACM799268545
CAS 799268-54-5
Synonyms 18:1 PI(3,4)P2
IUPAC Name Azane;[(2R)-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular Weight 1074.16
Molecular Formula C45H94N3O19P3
Canonical SMILES [H][C@@](COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)([O-])=O)[C@@H](OP(O)([O-])=O)[C@H]1O)([O-])=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O.[NH4+].[NH4+].[NH4+]
Purity 99%+
Physical State Powder
Storage Conditions -20 °C
Knowledge & Learning Case Study Q&A

What is the molecular formula of 1,2-Dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate) (ammonium salt)?

The molecular formula is C45H88NO19P3.

What is the molecular weight of the compound?

The molecular weight is 1040.1 g/mol.

What is the exact mass of the compound?

The exact mass is 1039.51634057.

How many hydrogen bond acceptors are in the compound?

There are 20 hydrogen bond acceptors.

How many hydrogen bond donors are in the compound?

There are 9 hydrogen bond donors.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)P(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC.N

How many covalently bonded units are there in the compound?

There are 2 covalently bonded units.

What are some of the Synonyms for the compound?

Some synonyms include 1,2-dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate) (ammonium salt) and 1,2-dioleoyl-sn-glycero-3-phospho-(1'-Myo-inositol-4',5'-bisphosphate) (aMMoniuM salt).

What is the InChIKey for the compound?

The InChIKey is FWDOQVLMXPDBBT-ZGWGUCJNSA-N.

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