N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide

C10H21NO5P2 — CID 161247715

IUPACN-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1[C@H](OP(C)P)OC(CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H21NO5P2/c1-5-7(4-12)15-10(16-18(3)17)8(9(5)14)11-6(2)13/h5,7-10,12,14H,4,17H2,1-3H3,(H,11,13)/t5-,7?,8?,9+,10+,18?/m1/s1
InChIKeyJURBXYKJXIJLOU-JINLVMKYSA-N
MW297.23 g/mol
LogP0.04
Rot. Bonds4

About N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide

N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide (PubChem CID 161247715) has the molecular formula C10H21NO5P2 and a molecular weight of 297.23 g/mol. Its IUPAC name is N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide
PubChem CID161247715
Molecular FormulaC10H21NO5P2
Molecular Weight297.23 g/mol
Exact Mass297.09
IUPAC NameN-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1[C@H](OP(C)P)OC(CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H21NO5P2/c1-5-7(4-12)15-10(16-18(3)17)8(9(5)14)11-6(2)13/h5,7-10,12,14H,4,17H2,1-3H3,(H,11,13)/t5-,7?,8?,9+,10+,18?/m1/s1
InChIKeyJURBXYKJXIJLOU-JINLVMKYSA-N
XLogP0.04
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 165377984
N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413629
N-[(2S,3S,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413631
N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
CID 59547393
N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
CID 118505551
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide
CID 146016835
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium
CID 58312019
N-[(2S,3R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
CID 126969126

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide (CID 161247715) is N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide is CC(=O)NC1[C@H](OP(C)P)OC(CO)[C@@H](C)[C@@H]1O.
What is the InChIKey of N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide?
The InChIKey is JURBXYKJXIJLOU-JINLVMKYSA-N. The full InChI is InChI=1S/C10H21NO5P2/c1-5-7(4-12)15-10(16-18(3)17)8(9(5)14)11-6(2)13/h5,7-10,12,14H,4,17H2,1-3H3,(H,11,13)/t5-,7?,8?,9+,10+,18?/m1/s1.
What are the key properties of N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide?
N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide has a molecular weight of 297.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 161247715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).