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

C20H35NO15 — CID 70355724

IUPACN-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2C(O)[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H35NO15/c1-4-8(24)12(28)17(18(33-4)15(31)16-13(29)11(27)14(30)19(32)35-16)36-20-7(21-5(2)23)10(26)9(25)6(3-22)34-20/h4,6-20,22,24-32H,3H2,1-2H3,(H,21,23)/t4-,6-,7+,8-,9-,10-,11+,12+,13+,14+,15?,16+,17+,18+,19+,20+/m1/s1
InChIKeyHGZAEGGFLCOJCQ-AGUJAOJVSA-N
MW529.49 g/mol
LogP-7.01
Rot. Bonds6

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

N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 70355724) has the molecular formula C20H35NO15 and a molecular weight of 529.49 g/mol. Its IUPAC name is N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID70355724
Molecular FormulaC20H35NO15
Molecular Weight529.49 g/mol
Exact Mass529.20
IUPAC NameN-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2C(O)[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H35NO15/c1-4-8(24)12(28)17(18(33-4)15(31)16-13(29)11(27)14(30)19(32)35-16)36-20-7(21-5(2)23)10(26)9(25)6(3-22)34-20/h4,6-20,22,24-32H,3H2,1-2H3,(H,21,23)/t4-,6-,7+,8-,9-,10-,11+,12+,13+,14+,15?,16+,17+,18+,19+,20+/m1/s1
InChIKeyHGZAEGGFLCOJCQ-AGUJAOJVSA-N
XLogP-7.01
TPSA268.32 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500529.49
LogP ≤ 5-7.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67680734
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 10384317
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 91860873
N-[(2R,5S)-2-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58741227
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 171933337
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91853010
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 175735798
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide
CID 14131348
N-[(2S,3S,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91855184
N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91849165
N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91850487
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 70355724) is N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2C(O)[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is HGZAEGGFLCOJCQ-AGUJAOJVSA-N. The full InChI is InChI=1S/C20H35NO15/c1-4-8(24)12(28)17(18(33-4)15(31)16-13(29)11(27)14(30)19(32)35-16)36-20-7(21-5(2)23)10(26)9(25)6(3-22)34-20/h4,6-20,22,24-32H,3H2,1-2H3,(H,21,23)/t4-,6-,7+,8-,9-,10-,11+,12+,13+,14+,15?,16+,17+,18+,19+,20+/m1/s1.
What are the key properties of N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 529.49 g/mol, XLogP of -7.01, 6 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 70355724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).