sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate

C7H16NaO7P — CID 173402767

IUPACsodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate
SMILESCCCCC(O)(CO)C(=O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H15O7P.Na.H/c1-2-3-4-7(10,5-8)6(9)14-15(11,12)13;;/h8,10H,2-5H2,1H3,(H2,11,12,13);;/q;+1;-1
InChIKeyNBRZQCWZSQUOIZ-UHFFFAOYSA-N
MW266.16 g/mol
LogP-3.35
Rot. Bonds6

About sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate

sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate (PubChem CID 173402767) has the molecular formula C7H16NaO7P and a molecular weight of 266.16 g/mol. Its IUPAC name is sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate.

Molecular Properties

Compound Namesodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate
PubChem CID173402767
Molecular FormulaC7H16NaO7P
Molecular Weight266.16 g/mol
Exact Mass266.05
IUPAC Namesodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate
SMILESCCCCC(O)(CO)C(=O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H15O7P.Na.H/c1-2-3-4-7(10,5-8)6(9)14-15(11,12)13;;/h8,10H,2-5H2,1H3,(H2,11,12,13);;/q;+1;-1
InChIKeyNBRZQCWZSQUOIZ-UHFFFAOYSA-N
XLogP-3.35
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 5-3.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-(hydroxymethyl)heptan-2-one
CID 118643161
trisodium;hydride;phosphono octadecanoate
CID 175375815
3-butyl-3-hydroxyheptan-2-one
CID 11521205
2-hydroxy-2-(hydroxymethyl)octanamide
CID 87546274
2-hydroxy-2-(hydroxymethyl)decanamide
CID 87546710
tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 150749024
potassium;hydride;phosphono decanoate
CID 173362975
5-hydroxytridecan-5-yl dihydrogen phosphate
CID 141376782
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
(1-hydroxy-1-phosphonooxytridecyl)phosphonic acid
CID 50992169
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
phosphono N-butylcarbamate
CID 154142807

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate?
The IUPAC name of sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate (CID 173402767) is sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate.
What is the SMILES notation for sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate?
The canonical SMILES for sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate is CCCCC(O)(CO)C(=O)OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate?
The InChIKey is NBRZQCWZSQUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O7P.Na.H/c1-2-3-4-7(10,5-8)6(9)14-15(11,12)13;;/h8,10H,2-5H2,1H3,(H2,11,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate?
sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate has a molecular weight of 266.16 g/mol, XLogP of -3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phosphono 2-hydroxy-2-(hydroxymethyl)hexanoate is sourced from PubChem (CID 173402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).