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

C16H30N2O9 — CID 140525939

IUPACN-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
SMILESCO[C@@H]1C(CO)O[C@@H](O[C@H]2C(O)C(NC(C)=O)[C@H](C)O[C@H]2CO)C(N)[C@H]1O
InChIInChI=1S/C16H30N2O9/c1-6-11(18-7(2)21)13(23)15(9(5-20)25-6)27-16-10(17)12(22)14(24-3)8(4-19)26-16/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/t6-,8?,9-,10?,11?,12+,13?,14+,15+,16-/m0/s1
InChIKeyIUFDAYJKODBPCE-NVSOKWDVSA-N
MW394.42 g/mol
LogP-3.56
Rot. Bonds6

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

N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide (PubChem CID 140525939) has the molecular formula C16H30N2O9 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
PubChem CID140525939
Molecular FormulaC16H30N2O9
Molecular Weight394.42 g/mol
Exact Mass394.20
IUPAC NameN-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
SMILESCO[C@@H]1C(CO)O[C@@H](O[C@H]2C(O)C(NC(C)=O)[C@H](C)O[C@H]2CO)C(N)[C@H]1O
InChIInChI=1S/C16H30N2O9/c1-6-11(18-7(2)21)13(23)15(9(5-20)25-6)27-16-10(17)12(22)14(24-3)8(4-19)26-16/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/t6-,8?,9-,10?,11?,12+,13?,14+,15+,16-/m0/s1
InChIKeyIUFDAYJKODBPCE-NVSOKWDVSA-N
XLogP-3.56
TPSA172.96 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 5-3.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2R,4R,5S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 158807122
N-[5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 59022417
tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)
CID 159614309
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium
CID 140889398
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium
CID 59022420
2-[[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]amino]acetic acid
CID 154627440
(2S)-N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]-2,6-diaminohexanamide
CID 59022424
N-[(2R,4S,5S)-5-[(2S,4S,5R)-3-acetamido-5-[(2S,4S,5S)-3-amino-5-[(2S,4R,5R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 152930772
N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
CID 59547393
N-[(2R)-5-[(4R)-3-amino-5-[(2S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;(4S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 162068759
N-[(2S,3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-methyloxan-3-yl]-2-methylprop-2-enamide
CID 147869647
N-[(2R,4R,5S)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70842014

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide (CID 140525939) is N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide is CO[C@@H]1C(CO)O[C@@H](O[C@H]2C(O)C(NC(C)=O)[C@H](C)O[C@H]2CO)C(N)[C@H]1O.
What is the InChIKey of N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide?
The InChIKey is IUFDAYJKODBPCE-NVSOKWDVSA-N. The full InChI is InChI=1S/C16H30N2O9/c1-6-11(18-7(2)21)13(23)15(9(5-20)25-6)27-16-10(17)12(22)14(24-3)8(4-19)26-16/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/t6-,8?,9-,10?,11?,12+,13?,14+,15+,16-/m0/s1.
What are the key properties of N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide?
N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide has a molecular weight of 394.42 g/mol, XLogP of -3.56, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 140525939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).