Vaccine Lab / Alfa Chemistry
1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)

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1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)

Catalog Number ACM852043368
CAS 852043-36-8
Synonyms 08:0 PI(3,5)P2
IUPAC Name Azane;[(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
Molecular Weight 797.66
Molecular Formula C25H58N3O19P3
Canonical SMILES [H][C@@](COP([O-])(O[C@H]1[C@H](O)[C@@H](OP(O)([O-])=O)[C@H](O)[C@@H](OP([O-])(O)=O)[C@H]1O)=O)(OC(CCCCCCC)=O)COC(CCCCCCC)=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-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The molecular formula is C25H58N3O19P3.

What is the IUPAC name of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The IUPAC name is triazanium;[(1R)-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4,6-trihydroxy-5-[hydroxy(oxido)phosphoryl]oxycyclohexyl] hydrogen phosphate.

What is the molecular weight of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The molecular weight is 797.7g/mol.

How many hydrogen bond acceptor counts are there in 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

There are 19 hydrogen bond acceptor counts.

How many rotatable bond counts are there in 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

There are 26 rotatable bond counts.

What is the canonical SMILES of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The canonical SMILES is CCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)P(=O)(O)[O-])O)OP(=O)(O)[O-])O)OC(=O)CCCCCCC.[NH4+].[NH4+].[NH4+]

What is the computed properties complexity of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The computed properties complexity is 1030.

What is the exact mass of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The exact mass is 797.28773762.

What are the depositor-supplied synonyms of 1,2-Dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt)?

The synonyms are 08:0 PI(3,5)P2, 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate) (ammonium salt), powder.

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