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

C16H28N2O10 — CID 156615851

IUPACN-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C16H28N2O10/c1-5-11(22)13(24)9(17-6(2)20)16(26-5)28-14-10(18-7(3)21)15(25)27-8(4-19)12(14)23/h5,8-16,19,22-25H,4H2,1-3H3,(H,17,20)(H,18,21)/t5-,8+,9-,10+,11-,12+,13-,14+,15-,16-/m0/s1
InChIKeyIEXGLANXCIRSTP-QUCSNACVSA-N
MW408.40 g/mol
LogP-4.08
Rot. Bonds5

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

N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 156615851) has the molecular formula C16H28N2O10 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
PubChem CID156615851
Molecular FormulaC16H28N2O10
Molecular Weight408.40 g/mol
Exact Mass408.17
IUPAC NameN-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C16H28N2O10/c1-5-11(22)13(24)9(17-6(2)20)16(26-5)28-14-10(18-7(3)21)15(25)27-8(4-19)12(14)23/h5,8-16,19,22-25H,4H2,1-3H3,(H,17,20)(H,18,21)/t5-,8+,9-,10+,11-,12+,13-,14+,15-,16-/m0/s1
InChIKeyIEXGLANXCIRSTP-QUCSNACVSA-N
XLogP-4.08
TPSA187.04 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 5-4.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 156616209
N-[(3R,4R,5S,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91856520
N-[(3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91859245
[(2S,3R,4R,5S,6S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate
CID 156615971
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 156614723
N-[(2S,3S,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 162982146
N-[(2R,3R,4R,5S,6R)-4-[(2S,3S,4S,5R,6S)-3-acetamido-5-hydroxy-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91848619
N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 146015665
N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91853784
N-[(2S,3S,4S,5R,6S)-2-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 162946121
N-[(2R,4R,5R)-2-[(2R,4S,5S)-2-[(4R,5R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 172642599
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91851901

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide (CID 156615851) is N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide?
The InChIKey is IEXGLANXCIRSTP-QUCSNACVSA-N. The full InChI is InChI=1S/C16H28N2O10/c1-5-11(22)13(24)9(17-6(2)20)16(26-5)28-14-10(18-7(3)21)15(25)27-8(4-19)12(14)23/h5,8-16,19,22-25H,4H2,1-3H3,(H,17,20)(H,18,21)/t5-,8+,9-,10+,11-,12+,13-,14+,15-,16-/m0/s1.
What are the key properties of N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide?
N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide has a molecular weight of 408.40 g/mol, XLogP of -4.08, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 156615851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).