9-phosphonooxynonyl dihydrogen phosphate

C9H22O8P2 — CID 142711404

IUPAC9-phosphonooxynonyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C9H22O8P2/c10-18(11,12)16-8-6-4-2-1-3-5-7-9-17-19(13,14)15/h1-9H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyBNWVQNIUTNGBAV-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.94
Rot. Bonds12

About 9-phosphonooxynonyl dihydrogen phosphate

9-phosphonooxynonyl dihydrogen phosphate (PubChem CID 142711404) has the molecular formula C9H22O8P2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 9-phosphonooxynonyl dihydrogen phosphate.

Molecular Properties

Compound Name9-phosphonooxynonyl dihydrogen phosphate
PubChem CID142711404
Molecular FormulaC9H22O8P2
Molecular Weight320.22 g/mol
Exact Mass320.08
IUPAC Name9-phosphonooxynonyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C9H22O8P2/c10-18(11,12)16-8-6-4-2-1-3-5-7-9-17-19(13,14)15/h1-9H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyBNWVQNIUTNGBAV-UHFFFAOYSA-N
XLogP1.94
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.94
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

10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
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 9-phosphonooxynonyl dihydrogen phosphate?
The IUPAC name of 9-phosphonooxynonyl dihydrogen phosphate (CID 142711404) is 9-phosphonooxynonyl dihydrogen phosphate.
What is the SMILES notation for 9-phosphonooxynonyl dihydrogen phosphate?
The canonical SMILES for 9-phosphonooxynonyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 9-phosphonooxynonyl dihydrogen phosphate?
The InChIKey is BNWVQNIUTNGBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O8P2/c10-18(11,12)16-8-6-4-2-1-3-5-7-9-17-19(13,14)15/h1-9H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of 9-phosphonooxynonyl dihydrogen phosphate?
9-phosphonooxynonyl dihydrogen phosphate has a molecular weight of 320.22 g/mol, XLogP of 1.94, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phosphonooxynonyl dihydrogen phosphate is sourced from PubChem (CID 142711404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).