(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate

C10H22NO8P — CID 88867230

IUPAC(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate
SMILESCC(=O)NC(C(O)CCCOP(=O)(O)O)C(O)C(C)O
InChIInChI=1S/C10H22NO8P/c1-6(12)10(15)9(11-7(2)13)8(14)4-3-5-19-20(16,17)18/h6,8-10,12,14-15H,3-5H2,1-2H3,(H,11,13)(H2,16,17,18)
InChIKeyWYAPLLYLYYBHND-UHFFFAOYSA-N
MW315.26 g/mol
LogP-1.52
Rot. Bonds9

About (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate

(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate (PubChem CID 88867230) has the molecular formula C10H22NO8P and a molecular weight of 315.26 g/mol. Its IUPAC name is (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate
PubChem CID88867230
Molecular FormulaC10H22NO8P
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate
SMILESCC(=O)NC(C(O)CCCOP(=O)(O)O)C(O)C(C)O
InChIInChI=1S/C10H22NO8P/c1-6(12)10(15)9(11-7(2)13)8(14)4-3-5-19-20(16,17)18/h6,8-10,12,14-15H,3-5H2,1-2H3,(H,11,13)(H2,16,17,18)
InChIKeyWYAPLLYLYYBHND-UHFFFAOYSA-N
XLogP-1.52
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate?
The IUPAC name of (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate (CID 88867230) is (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate.
What is the SMILES notation for (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate?
The canonical SMILES for (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate is CC(=O)NC(C(O)CCCOP(=O)(O)O)C(O)C(C)O.
What is the InChIKey of (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate?
The InChIKey is WYAPLLYLYYBHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO8P/c1-6(12)10(15)9(11-7(2)13)8(14)4-3-5-19-20(16,17)18/h6,8-10,12,14-15H,3-5H2,1-2H3,(H,11,13)(H2,16,17,18).
What are the key properties of (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate?
(5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate has a molecular weight of 315.26 g/mol, XLogP of -1.52, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate is sourced from PubChem (CID 88867230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).