(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium

C8H17NO8P+ — CID 123735609

IUPAC(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium
SMILESCC(=O)NC(CO)C(O)C(O[P+](=O)O)C(O)CO
InChIInChI=1S/C8H16NO8P/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)17-18(15)16/h5-8,10-11,13-14H,2-3H2,1H3,(H-,9,12,15,16)/p+1
InChIKeyZBHDGYJTGMEPFY-UHFFFAOYSA-O
MW286.20 g/mol
LogP-2.77
Rot. Bonds8

About (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium

(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium (PubChem CID 123735609) has the molecular formula C8H17NO8P+ and a molecular weight of 286.20 g/mol. Its IUPAC name is (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium
PubChem CID123735609
Molecular FormulaC8H17NO8P+
Molecular Weight286.20 g/mol
Exact Mass286.07
IUPAC Name(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium
SMILESCC(=O)NC(CO)C(O)C(O[P+](=O)O)C(O)CO
InChIInChI=1S/C8H16NO8P/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)17-18(15)16/h5-8,10-11,13-14H,2-3H2,1H3,(H-,9,12,15,16)/p+1
InChIKeyZBHDGYJTGMEPFY-UHFFFAOYSA-O
XLogP-2.77
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.20
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium?
The IUPAC name of (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium (CID 123735609) is (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium.
What is the SMILES notation for (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium?
The canonical SMILES for (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium is CC(=O)NC(CO)C(O)C(O[P+](=O)O)C(O)CO.
What is the InChIKey of (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium?
The InChIKey is ZBHDGYJTGMEPFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16NO8P/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)17-18(15)16/h5-8,10-11,13-14H,2-3H2,1H3,(H-,9,12,15,16)/p+1.
What are the key properties of (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium?
(5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium has a molecular weight of 286.20 g/mol, XLogP of -2.77, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 123735609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).