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

C15H27NO10 — CID 67797486

IUPACN-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@]1(O)NC(C)=O
InChIInChI=1S/C15H27NO10/c1-6-11(20)8(19)4-10(24-6)26-13-12(21)9(5-17)25-14(23-3)15(13,22)16-7(2)18/h6,8-14,17,19-22H,4-5H2,1-3H3,(H,16,18)/t6-,8-,9+,10-,11+,12+,13-,14+,15+/m0/s1
InChIKeyIAXPZMNYJUXUHF-VQVWKCFHSA-N
MW381.38 g/mol
LogP-3.22
Rot. Bonds5

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

N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (PubChem CID 67797486) has the molecular formula C15H27NO10 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
PubChem CID67797486
Molecular FormulaC15H27NO10
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC NameN-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@]1(O)NC(C)=O
InChIInChI=1S/C15H27NO10/c1-6-11(20)8(19)4-10(24-6)26-13-12(21)9(5-17)25-14(23-3)15(13,22)16-7(2)18/h6,8-14,17,19-22H,4-5H2,1-3H3,(H,16,18)/t6-,8-,9+,10-,11+,12+,13-,14+,15+/m0/s1
InChIKeyIAXPZMNYJUXUHF-VQVWKCFHSA-N
XLogP-3.22
TPSA167.17 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 5-3.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2S,3R,4S,5S,6R)-3-acetamido-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide
CID 54176873
N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
CID 54228502
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
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-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (CID 67797486) is N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@]1(O)NC(C)=O.
What is the InChIKey of N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The InChIKey is IAXPZMNYJUXUHF-VQVWKCFHSA-N. The full InChI is InChI=1S/C15H27NO10/c1-6-11(20)8(19)4-10(24-6)26-13-12(21)9(5-17)25-14(23-3)15(13,22)16-7(2)18/h6,8-14,17,19-22H,4-5H2,1-3H3,(H,16,18)/t6-,8-,9+,10-,11+,12+,13-,14+,15+/m0/s1.
What are the key properties of N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide has a molecular weight of 381.38 g/mol, XLogP of -3.22, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 67797486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).