[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate

C10H22NO9P — CID 504712

IUPAC[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C10H22NO9P/c1-6(13)11-7(4-12)9(15)10(16)8(14)5-20-21(17,18-2)19-3/h7-10,12,14-16H,4-5H2,1-3H3,(H,11,13)/t7-,8+,9+,10+/m0/s1
InChIKeyWARLCCLXCYJBPQ-SGIHWFKDSA-N
MW331.26 g/mol
LogP-2.02
Rot. Bonds10

About [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate

[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate (PubChem CID 504712) has the molecular formula C10H22NO9P and a molecular weight of 331.26 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate
PubChem CID504712
Molecular FormulaC10H22NO9P
Molecular Weight331.26 g/mol
Exact Mass331.10
IUPAC Name[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C10H22NO9P/c1-6(13)11-7(4-12)9(15)10(16)8(14)5-20-21(17,18-2)19-3/h7-10,12,14-16H,4-5H2,1-3H3,(H,11,13)/t7-,8+,9+,10+/m0/s1
InChIKeyWARLCCLXCYJBPQ-SGIHWFKDSA-N
XLogP-2.02
TPSA154.78 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate?
The IUPAC name of [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate (CID 504712) is [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate.
What is the SMILES notation for [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate?
The canonical SMILES for [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate is COP(=O)(OC)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)NC(C)=O.
What is the InChIKey of [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate?
The InChIKey is WARLCCLXCYJBPQ-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H22NO9P/c1-6(13)11-7(4-12)9(15)10(16)8(14)5-20-21(17,18-2)19-3/h7-10,12,14-16H,4-5H2,1-3H3,(H,11,13)/t7-,8+,9+,10+/m0/s1.
What are the key properties of [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate?
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate has a molecular weight of 331.26 g/mol, XLogP of -2.02, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate is sourced from PubChem (CID 504712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).