[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

C8H16NO10P — CID 100923877

IUPAC[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
SMILESCC(=O)N[C@]1(O)C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16NO10P/c1-3(10)9-8(14)6(12)5(11)4(19-7(8)13)2-18-20(15,16)17/h4-7,11-14H,2H2,1H3,(H,9,10)(H2,15,16,17)/t4-,5-,6+,7?,8-/m1/s1
InChIKeyRMZBWDXUVJFFJH-JTFAZQEDSA-N
MW317.19 g/mol
LogP-3.64
Rot. Bonds4

About [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate (PubChem CID 100923877) has the molecular formula C8H16NO10P and a molecular weight of 317.19 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
PubChem CID100923877
Molecular FormulaC8H16NO10P
Molecular Weight317.19 g/mol
Exact Mass317.05
IUPAC Name[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
SMILESCC(=O)N[C@]1(O)C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16NO10P/c1-3(10)9-8(14)6(12)5(11)4(19-7(8)13)2-18-20(15,16)17/h4-7,11-14H,2H2,1H3,(H,9,10)(H2,15,16,17)/t4-,5-,6+,7?,8-/m1/s1
InChIKeyRMZBWDXUVJFFJH-JTFAZQEDSA-N
XLogP-3.64
TPSA186.01 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.19
LogP ≤ 5-3.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56606853
N-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 18659288
N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
CID 54228502
[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 46936841
[(2R,3S,4S)-3,4,5-trihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 135075716
(3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolane-2-carboxylic acid
CID 56627390
[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 90992669
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
[(2R,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 24802142

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate (CID 100923877) is [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate is CC(=O)N[C@]1(O)C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate?
The InChIKey is RMZBWDXUVJFFJH-JTFAZQEDSA-N. The full InChI is InChI=1S/C8H16NO10P/c1-3(10)9-8(14)6(12)5(11)4(19-7(8)13)2-18-20(15,16)17/h4-7,11-14H,2H2,1H3,(H,9,10)(H2,15,16,17)/t4-,5-,6+,7?,8-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 317.19 g/mol, XLogP of -3.64, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 100923877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).