D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)

Catalog Number	ACM1246355689
CAS	1246355-68-9
Synonyms	IP4(1,3,4,5)
IUPAC Name	Azane;[(1S,2S,4S,5R)-2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
Molecular Weight	568.2
Molecular Formula	C6H28N4O18P4
Canonical SMILES	O[C@H]1[C@@H]([C@H](O)[C@H](OP(O)([O-])=O)[C@@H](OP([O-])(O)=O)[C@@H]1OP([O-])(O)=O)OP(O)([O-])=O.[NH4+].[NH4+].[NH4+].[NH4+]
Purity	99%+
Physical State	Powder
Storage Conditions	-20 °C

Knowledge & Learning Case Study Q&A

What is the IUPAC Name of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The IUPAC Name is azane; (2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl) dihydrogen phosphate.

What is the molecular formula of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The molecular formula is C6H19NO18P4.

What is the molecular weight of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The molecular weight is 517.11g/mol.

How many covalently-bonded units are present in the molecule?

There are 2 covalently-bonded units.

What is the topological polar surface area of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The topological polar surface area is 309.

How many hydrogen bond acceptors are present in the molecule?

There are 19 hydrogen bond acceptors.

What is the exact mass of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The exact mass is 516.95526075.

How many rotatable bonds are present in the molecule?

There are 8 rotatable bonds.

What is the computed properties complexity of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The complexity is 688.

What is the Canonical SMILES representation of D-myo-inositol-1,3,4,5-tetraphosphate (ammonium salt)?

The Canonical SMILES is C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O.N

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