Vaccine Lab / Alfa Chemistry
1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)

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1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)

Catalog Number ACM384835454
CAS 384835-45-4
Synonyms [(2R)-2-Hydroxy-3-phosphonooxypropyl] hexanoate
IUPAC Name Diazanium;[(2R)-3-hexanoyloxy-2-hydroxypropyl] phosphate
Molecular Weight 304.28
Molecular Formula C9H25N2O7P
Canonical SMILES CCCCCC(=O)OCC(COP(=O)([O-])[O-])O.[NH4+].[NH4+]
InChI InChI=1S/C9H19O7P.2H3N/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14;/h8,10H,2-7H2,1H3,(H2,12,13,14);2*1H3/t8-;/m1./s1
InChI Key CXCGNSDRQMUKKV-YCBDHFTFSA-N
Purity 99%+
Complexity 251
Covalently-Bonded Unit Count 3
Defined Atom Stereocenter Count 1
Exact Mass 304.13993814
Heavy Atom Count 19
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
Isomeric SMILES CCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O.[NH4+].[NH4+]
Monoisotopic Mass 304.13993814
Physical State Liquid
Rotatable Bond Count 9
Storage Conditions -20 °C
Topological Polar Surface Area 121 Ų
Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The molecular formula of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is C9H22NO7P.

What is the exact mass of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The exact mass of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 287.11338904.

What is the IUPAC name of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The IUPAC name of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is azanium;[(2R)-3-hexanoyloxy-2-hydroxypropyl] hydrogen phosphate.

How many hydrogen bond acceptor counts does 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) have?

1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) has 7 hydrogen bond acceptor counts.

What is the canonical SMILES of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The canonical SMILES of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is CCCCC(=O)OCC(COP(=O)(O)[O-])O.[NH4+].

How many covalently-bonded unit counts does 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) have?

1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) has 2 covalently-bonded unit counts.

What is the InChIKey of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The InChIKey of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is CDZUFHSUQNHOOP-DDWIOCJRSA-N.

What is the computed properties complexity of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The computed properties complexity of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 260.

What is the topological polar surface area of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The topological polar surface area of 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 117.

What are some depositor-supplied synonyms for 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

Some depositor-supplied synonyms for 1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) are 06:0 Lyso PA, 1-hexanoyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt), chloroform.

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