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

C15H27NO11 — CID 57114143

IUPACN-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C15H27NO11/c1-5(19)16-8-11(22)9(20)6(3-17)26-13(8)15(24)12(23)10(21)7(4-18)27-14(15)25-2/h6-14,17-18,20-24H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8+,9+,10+,11-,12+,13-,14+,15+/m1/s1
InChIKeyNDSQTLZXYLLOKD-KLUWBKSDSA-N
MW397.38 g/mol
LogP-5.21
Rot. Bonds5

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

N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide (PubChem CID 57114143) has the molecular formula C15H27NO11 and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide
PubChem CID57114143
Molecular FormulaC15H27NO11
Molecular Weight397.38 g/mol
Exact Mass397.16
IUPAC NameN-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C15H27NO11/c1-5(19)16-8-11(22)9(20)6(3-17)26-13(8)15(24)12(23)10(21)7(4-18)27-14(15)25-2/h6-14,17-18,20-24H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8+,9+,10+,11-,12+,13-,14+,15+/m1/s1
InChIKeyNDSQTLZXYLLOKD-KLUWBKSDSA-N
XLogP-5.21
TPSA198.40 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500397.38
LogP ≤ 5-5.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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

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Related Compounds

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,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
CID 57299997
N-[(2R,3S,4R,5R,6R)-2-[[(2R,3S,4R,5S,6S)-5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67879085
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide (CID 57114143) is N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide is CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide?
The InChIKey is NDSQTLZXYLLOKD-KLUWBKSDSA-N. The full InChI is InChI=1S/C15H27NO11/c1-5(19)16-8-11(22)9(20)6(3-17)26-13(8)15(24)12(23)10(21)7(4-18)27-14(15)25-2/h6-14,17-18,20-24H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8+,9+,10+,11-,12+,13-,14+,15+/m1/s1.
What are the key properties of N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide?
N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide has a molecular weight of 397.38 g/mol, XLogP of -5.21, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide is sourced from PubChem (CID 57114143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).