10-phosphonooxydecyl dihydrogen phosphate

C10H24O8P2 — CID 19764276

IUPAC10-phosphonooxydecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H24O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h1-10H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyRDQVRMLSWFDZJP-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.33
Rot. Bonds13

About 10-phosphonooxydecyl dihydrogen phosphate

10-phosphonooxydecyl dihydrogen phosphate (PubChem CID 19764276) has the molecular formula C10H24O8P2 and a molecular weight of 334.24 g/mol. Its IUPAC name is 10-phosphonooxydecyl dihydrogen phosphate.

Molecular Properties

Compound Name10-phosphonooxydecyl dihydrogen phosphate
PubChem CID19764276
Molecular FormulaC10H24O8P2
Molecular Weight334.24 g/mol
Exact Mass334.09
IUPAC Name10-phosphonooxydecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H24O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h1-10H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyRDQVRMLSWFDZJP-UHFFFAOYSA-N
XLogP2.33
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
30-bromotriacontyl dihydrogen phosphate
CID 87684880
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
31-iodohentriacontyl dihydrogen phosphate
CID 87681796
25-aminopentacosyl dihydrogen phosphate
CID 87681280
38-iodooctatriacontyl dihydrogen phosphate
CID 87684859

Frequently Asked Questions

What is the IUPAC name of 10-phosphonooxydecyl dihydrogen phosphate?
The IUPAC name of 10-phosphonooxydecyl dihydrogen phosphate (CID 19764276) is 10-phosphonooxydecyl dihydrogen phosphate.
What is the SMILES notation for 10-phosphonooxydecyl dihydrogen phosphate?
The canonical SMILES for 10-phosphonooxydecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 10-phosphonooxydecyl dihydrogen phosphate?
The InChIKey is RDQVRMLSWFDZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h1-10H2,(H2,11,12,13)(H2,14,15,16).
What are the key properties of 10-phosphonooxydecyl dihydrogen phosphate?
10-phosphonooxydecyl dihydrogen phosphate has a molecular weight of 334.24 g/mol, XLogP of 2.33, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phosphonooxydecyl dihydrogen phosphate is sourced from PubChem (CID 19764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).