Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate

Catalog Number	ACM321883538
CAS	321883-53-8
Synonyms	1,2-Dihexanoyl-sn-glycero-3-phosphate (sodium salt)
IUPAC Name	Sodium;[(2R)-2,3-di(hexanoyloxy)propyl] hydrogen phosphate
Molecular Weight	390.34
Molecular Formula	C15H28NaO8P
Canonical SMILES	CCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCC.[Na+]
InChI	InChI=1S/C15H29O8P.Na/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2;/h13H,3-12H2,1-2H3,(H2,18,19,20);/q;+1/p-1/t13-;/m1./s1
InChI Key	RSKVQVAHZSAALH-BTQNPOSSSA-M
Purity	99%+
Complexity	418
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	390.14194913
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCC.[Na+]
Monoisotopic Mass	390.14194913
Physical State	Powder
Rotatable Bond Count	16
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The IUPAC name of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is sodium;[(2R)-2,3-di(hexanoyloxy)propyl] hydrogen phosphate.

What is the molecular formula of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The molecular formula of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is C15H28NaO8P.

What is the exact mass of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The exact mass of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is 390.14194913.

How many hydrogen bond acceptors does Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate have?

Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate has 8 hydrogen bond acceptors.

What is the CAS number of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The CAS number of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is 321883-53-8.

How many heavy atoms does Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate contain?

Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate contains 25 heavy atoms.

What is the canonical SMILES representation of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The canonical SMILES representation of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is CCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCC.[Na+]

How many rotatable bonds are present in Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate has 16 rotatable bonds.

What is the computed properties complexity of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The computed properties complexity of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is 418.

What is the InChIKey of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate?

The InChIKey of Sodium (2R)-2,3-bis(hexanoyloxy)propyl hydrogen phosphate is RSKVQVAHZSAALH-BTQNPOSSSA-M.

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