34-sulfanyltetratriacontyl dihydrogen phosphate

C34H71O4PS — CID 87681272

IUPAC34-sulfanyltetratriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C34H71O4PS/c35-39(36,37)38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40/h40H,1-34H2,(H2,35,36,37)
InChIKeyZJSXSWAIVJOQQF-UHFFFAOYSA-N
MW606.98 g/mol
LogP12.51
Rot. Bonds35

About 34-sulfanyltetratriacontyl dihydrogen phosphate

34-sulfanyltetratriacontyl dihydrogen phosphate (PubChem CID 87681272) has the molecular formula C34H71O4PS and a molecular weight of 606.98 g/mol. Its IUPAC name is 34-sulfanyltetratriacontyl dihydrogen phosphate.

Molecular Properties

Compound Name34-sulfanyltetratriacontyl dihydrogen phosphate
PubChem CID87681272
Molecular FormulaC34H71O4PS
Molecular Weight606.98 g/mol
Exact Mass606.48
IUPAC Name34-sulfanyltetratriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C34H71O4PS/c35-39(36,37)38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40/h40H,1-34H2,(H2,35,36,37)
InChIKeyZJSXSWAIVJOQQF-UHFFFAOYSA-N
XLogP12.51
TPSA66.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.98
LogP ≤ 512.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
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

Frequently Asked Questions

What is the IUPAC name of 34-sulfanyltetratriacontyl dihydrogen phosphate?
The IUPAC name of 34-sulfanyltetratriacontyl dihydrogen phosphate (CID 87681272) is 34-sulfanyltetratriacontyl dihydrogen phosphate.
What is the SMILES notation for 34-sulfanyltetratriacontyl dihydrogen phosphate?
The canonical SMILES for 34-sulfanyltetratriacontyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 34-sulfanyltetratriacontyl dihydrogen phosphate?
The InChIKey is ZJSXSWAIVJOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71O4PS/c35-39(36,37)38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40/h40H,1-34H2,(H2,35,36,37).
What are the key properties of 34-sulfanyltetratriacontyl dihydrogen phosphate?
34-sulfanyltetratriacontyl dihydrogen phosphate has a molecular weight of 606.98 g/mol, XLogP of 12.51, 35 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 34-sulfanyltetratriacontyl dihydrogen phosphate is sourced from PubChem (CID 87681272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).