N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide

C14H25NO10 — CID 54102561

IUPACN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@@]1(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO10/c1-5(18)15-14(4-24-6(2-16)9(20)12(14)23)13-11(22)10(21)8(19)7(3-17)25-13/h6-13,16-17,19-23H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9+,10+,11-,12+,13?,14+/m1/s1
InChIKeyOLYYIGWGVKOZSA-QGLIXJAYSA-N
MW367.35 g/mol
LogP-5.18
Rot. Bonds4

About N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide (PubChem CID 54102561) has the molecular formula C14H25NO10 and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide
PubChem CID54102561
Molecular FormulaC14H25NO10
Molecular Weight367.35 g/mol
Exact Mass367.15
IUPAC NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@@]1(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO10/c1-5(18)15-14(4-24-6(2-16)9(20)12(14)23)13-11(22)10(21)8(19)7(3-17)25-13/h6-13,16-17,19-23H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9+,10+,11-,12+,13?,14+/m1/s1
InChIKeyOLYYIGWGVKOZSA-QGLIXJAYSA-N
XLogP-5.18
TPSA189.17 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 5-5.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54288562
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 69476720
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 175303610
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 18650344
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-[(2S,3S,4R,5S,6R)-2-[(2S,4R,5R,6R)-2-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67797870
(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 57076968
N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxan-3-yl]acetamide
CID 57018158
(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolane-2-carboxylic acid
CID 100979463
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786
N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide (CID 54102561) is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide is CC(=O)N[C@@]1(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide?
The InChIKey is OLYYIGWGVKOZSA-QGLIXJAYSA-N. The full InChI is InChI=1S/C14H25NO10/c1-5(18)15-14(4-24-6(2-16)9(20)12(14)23)13-11(22)10(21)8(19)7(3-17)25-13/h6-13,16-17,19-23H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9+,10+,11-,12+,13?,14+/m1/s1.
What are the key properties of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide?
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide has a molecular weight of 367.35 g/mol, XLogP of -5.18, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide is sourced from PubChem (CID 54102561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).