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

C14H25NO11 — CID 57018158

IUPACN-[(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
SMILESCC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@]1(O)[C@@]1(O)CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO11/c1-5(18)15-9-12(22)26-7(3-17)10(20)14(9,24)13(23)4-25-6(2-16)8(19)11(13)21/h6-12,16-17,19-24H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9-,10+,11+,12+,13-,14-/m1/s1
InChIKeyZGKDFMKQDUFINM-DBZLUXQGSA-N
MW383.35 g/mol
LogP-5.86
Rot. Bonds4

About 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

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 (PubChem CID 57018158) has the molecular formula C14H25NO11 and a molecular weight of 383.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID57018158
Molecular FormulaC14H25NO11
Molecular Weight383.35 g/mol
Exact Mass383.14
IUPAC NameN-[(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
SMILESCC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@]1(O)[C@@]1(O)CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO11/c1-5(18)15-9-12(22)26-7(3-17)10(20)14(9,24)13(23)4-25-6(2-16)8(19)11(13)21/h6-12,16-17,19-24H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9-,10+,11+,12+,13-,14-/m1/s1
InChIKeyZGKDFMKQDUFINM-DBZLUXQGSA-N
XLogP-5.86
TPSA209.40 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500383.35
LogP ≤ 5-5.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 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 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
(2S,3S,4S,5S,6R)-6-(aminomethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57018621
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
CID 57234953
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 69476720
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786
(2S,3S,4S,5S,6R)-3-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57269400
(2S,3S,4S,5S,6S)-6-[chloro(hydroxy)methyl]-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57010952
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 18650344
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@]1(O)[C@@]1(O)CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of 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?
The InChIKey is ZGKDFMKQDUFINM-DBZLUXQGSA-N. The full InChI is InChI=1S/C14H25NO11/c1-5(18)15-9-12(22)26-7(3-17)10(20)14(9,24)13(23)4-25-6(2-16)8(19)11(13)21/h6-12,16-17,19-24H,2-4H2,1H3,(H,15,18)/t6-,7-,8+,9-,10+,11+,12+,13-,14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 383.35 g/mol, XLogP of -5.86, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 57018158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).