sodium;hydride;6-oxohexyl phosphono hydrogen phosphate

C6H15NaO8P2 — CID 174569917

IUPACsodium;hydride;6-oxohexyl phosphono hydrogen phosphate
SMILESO=CCCCCCOP(=O)(O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H14O8P2.Na.H/c7-5-3-1-2-4-6-13-16(11,12)14-15(8,9)10;;/h5H,1-4,6H2,(H,11,12)(H2,8,9,10);;/q;+1;-1
InChIKeyMEZPASYMWIOBIK-UHFFFAOYSA-N
MW300.12 g/mol
LogP-1.91
Rot. Bonds9

About sodium;hydride;6-oxohexyl phosphono hydrogen phosphate

sodium;hydride;6-oxohexyl phosphono hydrogen phosphate (PubChem CID 174569917) has the molecular formula C6H15NaO8P2 and a molecular weight of 300.12 g/mol. Its IUPAC name is sodium;hydride;6-oxohexyl phosphono hydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;6-oxohexyl phosphono hydrogen phosphate
PubChem CID174569917
Molecular FormulaC6H15NaO8P2
Molecular Weight300.12 g/mol
Exact Mass300.01
IUPAC Namesodium;hydride;6-oxohexyl phosphono hydrogen phosphate
SMILESO=CCCCCCOP(=O)(O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H14O8P2.Na.H/c7-5-3-1-2-4-6-13-16(11,12)14-15(8,9)10;;/h5H,1-4,6H2,(H,11,12)(H2,8,9,10);;/q;+1;-1
InChIKeyMEZPASYMWIOBIK-UHFFFAOYSA-N
XLogP-1.91
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl phosphono hydrogen phosphate
CID 22278195
9-[hydroxy(phosphonooxy)phosphoryl]oxynonyl but-2-enoate
CID 150866761
[hydroxy(8-methylnonoxy)phosphoryl] phosphono hydrogen phosphate
CID 141159700
ethane-1,2-diol;octyl phosphono hydrogen phosphate;oxotitanium
CID 87947601
[butoxy(hydroxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 139957070
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
6-hydroxyheptadecyl phosphono hydrogen phosphate
CID 57070151
naphthalen-2-yl 6-oxohexyl hydrogen phosphate
CID 118492240
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
[hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate;oxaldehydic acid
CID 87439960

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;6-oxohexyl phosphono hydrogen phosphate?
The IUPAC name of sodium;hydride;6-oxohexyl phosphono hydrogen phosphate (CID 174569917) is sodium;hydride;6-oxohexyl phosphono hydrogen phosphate.
What is the SMILES notation for sodium;hydride;6-oxohexyl phosphono hydrogen phosphate?
The canonical SMILES for sodium;hydride;6-oxohexyl phosphono hydrogen phosphate is O=CCCCCCOP(=O)(O)OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;6-oxohexyl phosphono hydrogen phosphate?
The InChIKey is MEZPASYMWIOBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O8P2.Na.H/c7-5-3-1-2-4-6-13-16(11,12)14-15(8,9)10;;/h5H,1-4,6H2,(H,11,12)(H2,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;6-oxohexyl phosphono hydrogen phosphate?
sodium;hydride;6-oxohexyl phosphono hydrogen phosphate has a molecular weight of 300.12 g/mol, XLogP of -1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;6-oxohexyl phosphono hydrogen phosphate is sourced from PubChem (CID 174569917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).