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

C7H14NO8P — CID 90992669

IUPAC[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESCC(=O)N[C@@H]1C(O)[C@H](O)O[C@@H]1COP(=O)(O)O
InChIInChI=1S/C7H14NO8P/c1-3(9)8-5-4(2-15-17(12,13)14)16-7(11)6(5)10/h4-7,10-11H,2H2,1H3,(H,8,9)(H2,12,13,14)/t4-,5+,6?,7-/m1/s1
InChIKeyDGMPMWZYHMPLTK-RDCZQUQVSA-N
MW271.16 g/mol
LogP-2.32
Rot. Bonds4

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

[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 90992669) has the molecular formula C7H14NO8P and a molecular weight of 271.16 g/mol. Its IUPAC name is [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
PubChem CID90992669
Molecular FormulaC7H14NO8P
Molecular Weight271.16 g/mol
Exact Mass271.05
IUPAC Name[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESCC(=O)N[C@@H]1C(O)[C@H](O)O[C@@H]1COP(=O)(O)O
InChIInChI=1S/C7H14NO8P/c1-3(9)8-5-4(2-15-17(12,13)14)16-7(11)6(5)10/h4-7,10-11H,2H2,1H3,(H,8,9)(H2,12,13,14)/t4-,5+,6?,7-/m1/s1
InChIKeyDGMPMWZYHMPLTK-RDCZQUQVSA-N
XLogP-2.32
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 46936841
(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
CID 24798720
2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
CID 66729509
[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate
CID 59949819
[(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
sodium (5-acetamido-3,4,6-trihydroxyoxan-2-yl)methyl hydrogen phosphate
CID 163304471
phosphoric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 135349447
CID 131865245
CID 131865245
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
CID 155802555

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CID 90992669) is [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is CC(=O)N[C@@H]1C(O)[C@H](O)O[C@@H]1COP(=O)(O)O.
What is the InChIKey of [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is DGMPMWZYHMPLTK-RDCZQUQVSA-N. The full InChI is InChI=1S/C7H14NO8P/c1-3(9)8-5-4(2-15-17(12,13)14)16-7(11)6(5)10/h4-7,10-11H,2H2,1H3,(H,8,9)(H2,12,13,14)/t4-,5+,6?,7-/m1/s1.
What are the key properties of [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
[(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 271.16 g/mol, XLogP of -2.32, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3-acetamido-4,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 90992669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).