N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide

C15H27NO10 — CID 10667524

IUPACN-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@@H]([C@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15?/m1/s1
InChIKeyASAIPEHAALVNMW-VFDWVUINSA-N
MW381.38 g/mol
LogP-4.59
Rot. Bonds6

About N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide

N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide (PubChem CID 10667524) has the molecular formula C15H27NO10 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide
PubChem CID10667524
Molecular FormulaC15H27NO10
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC NameN-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@@H]([C@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15?/m1/s1
InChIKeyASAIPEHAALVNMW-VFDWVUINSA-N
XLogP-4.59
TPSA189.17 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 5-4.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide with MolForge

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Related Compounds

N-[(3R,4R,5R,6R)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 173295647
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
[(2R,3R,4S,5S)-5-acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-hydroxymethanesulfonic acid
CID 162367382

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide (CID 10667524) is N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide is CC(=O)N[C@H]1C(O)O[C@@H]([C@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide?
The InChIKey is ASAIPEHAALVNMW-VFDWVUINSA-N. The full InChI is InChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15?/m1/s1.
What are the key properties of N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide?
N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide has a molecular weight of 381.38 g/mol, XLogP of -4.59, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide is sourced from PubChem (CID 10667524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).