38-iodooctatriacontyl dihydrogen phosphate

C38H78IO4P — CID 87684859

IUPAC38-iodooctatriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C38H78IO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-38H2,(H2,40,41,42)
InChIKeyYGGHCZOKQJMMTN-UHFFFAOYSA-N
MW756.92 g/mol
LogP14.57
Rot. Bonds39

About 38-iodooctatriacontyl dihydrogen phosphate

38-iodooctatriacontyl dihydrogen phosphate (PubChem CID 87684859) has the molecular formula C38H78IO4P and a molecular weight of 756.92 g/mol. Its IUPAC name is 38-iodooctatriacontyl dihydrogen phosphate.

Molecular Properties

Compound Name38-iodooctatriacontyl dihydrogen phosphate
PubChem CID87684859
Molecular FormulaC38H78IO4P
Molecular Weight756.92 g/mol
Exact Mass756.47
IUPAC Name38-iodooctatriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C38H78IO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-38H2,(H2,40,41,42)
InChIKeyYGGHCZOKQJMMTN-UHFFFAOYSA-N
XLogP14.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.92
LogP ≤ 514.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

25-iodopentacosyl dihydrogen phosphate
CID 87683330
31-iodohentriacontyl dihydrogen phosphate
CID 87681796
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
octatriacontyl dihydrogen phosphate
CID 140979287
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of 38-iodooctatriacontyl dihydrogen phosphate?
The IUPAC name of 38-iodooctatriacontyl dihydrogen phosphate (CID 87684859) is 38-iodooctatriacontyl dihydrogen phosphate.
What is the SMILES notation for 38-iodooctatriacontyl dihydrogen phosphate?
The canonical SMILES for 38-iodooctatriacontyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 38-iodooctatriacontyl dihydrogen phosphate?
The InChIKey is YGGHCZOKQJMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78IO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-38H2,(H2,40,41,42).
What are the key properties of 38-iodooctatriacontyl dihydrogen phosphate?
38-iodooctatriacontyl dihydrogen phosphate has a molecular weight of 756.92 g/mol, XLogP of 14.57, 39 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 38-iodooctatriacontyl dihydrogen phosphate is sourced from PubChem (CID 87684859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).