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

C45H76N4O30 — CID 89111795

IUPACN-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)NC1[C@H](OC2C(O)[C@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(O)[C@H](O[C@@H]5C(CO)O[C@@H](OCC6OC(C)C(NC(C)=O)[C@@H](O)[C@H]6O)C(NC(C)=O)[C@H]5O)OC(CO)[C@@H]4O)C(NC(C)=O)[C@H]3O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C45H76N4O30/c1-12-23(46-13(2)55)31(63)28(60)22(70-12)11-69-41-25(48-15(4)57)33(65)37(20(9-53)74-41)76-44-36(68)40(30(62)19(8-52)72-44)79-43-26(49-16(5)58)34(66)38(21(10-54)75-43)77-45-35(67)39(29(61)18(7-51)73-45)78-42-24(47-14(3)56)32(64)27(59)17(6-50)71-42/h12,17-45,50-54,59-68H,6-11H2,1-5H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)/t12?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28+,29+,30+,31-,32-,33-,34-,35?,36?,37-,38-,39?,40+,41-,42+,43+,44+,45+/m1/s1
InChIKeyZUHRATLGQWPBHV-SAZADRPMSA-N
MW1153.10 g/mol
LogP-12.46
Rot. Bonds20

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

N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide (PubChem CID 89111795) has the molecular formula C45H76N4O30 and a molecular weight of 1153.10 g/mol. Its IUPAC name is N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide
PubChem CID89111795
Molecular FormulaC45H76N4O30
Molecular Weight1153.10 g/mol
Exact Mass1152.45
IUPAC NameN-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)NC1[C@H](OC2C(O)[C@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(O)[C@H](O[C@@H]5C(CO)O[C@@H](OCC6OC(C)C(NC(C)=O)[C@@H](O)[C@H]6O)C(NC(C)=O)[C@H]5O)OC(CO)[C@@H]4O)C(NC(C)=O)[C@H]3O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C45H76N4O30/c1-12-23(46-13(2)55)31(63)28(60)22(70-12)11-69-41-25(48-15(4)57)33(65)37(20(9-53)74-41)76-44-36(68)40(30(62)19(8-52)72-44)79-43-26(49-16(5)58)34(66)38(21(10-54)75-43)77-45-35(67)39(29(61)18(7-51)73-45)78-42-24(47-14(3)56)32(64)27(59)17(6-50)71-42/h12,17-45,50-54,59-68H,6-11H2,1-5H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)/t12?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28+,29+,30+,31-,32-,33-,34-,35?,36?,37-,38-,39?,40+,41-,42+,43+,44+,45+/m1/s1
InChIKeyZUHRATLGQWPBHV-SAZADRPMSA-N
XLogP-12.46
TPSA521.38 Ų
H-Bond Donors19
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.10
LogP ≤ 5-12.46
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1030

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

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Related Compounds

N-[(2S,4R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3-[(2S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 87623987
N-[(2S,4R,5R)-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,5R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3-[(2R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58385746
N-[(2S,4R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,3R,5R)-6-[[(2S,3R,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 90261101
N-[(2S,4R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S,6R)-4-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 140960076
N-[(2S,4R,5R)-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,5R)-3-[(2S,4R,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58567130
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91853848
N-[(2R,4R,5R)-6-[[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxy-2-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 70963237
N-[(2S,3S,5S)-5-[(2S,3S,5S)-3-acetamido-5-[(2S,3R,5R)-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 123740799
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91857437
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6R)-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91855384
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 165368623
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91859237

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide (CID 89111795) is N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide is CC(=O)NC1[C@H](OC2C(O)[C@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(O)[C@H](O[C@@H]5C(CO)O[C@@H](OCC6OC(C)C(NC(C)=O)[C@@H](O)[C@H]6O)C(NC(C)=O)[C@H]5O)OC(CO)[C@@H]4O)C(NC(C)=O)[C@H]3O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide?
The InChIKey is ZUHRATLGQWPBHV-SAZADRPMSA-N. The full InChI is InChI=1S/C45H76N4O30/c1-12-23(46-13(2)55)31(63)28(60)22(70-12)11-69-41-25(48-15(4)57)33(65)37(20(9-53)74-41)76-44-36(68)40(30(62)19(8-52)72-44)79-43-26(49-16(5)58)34(66)38(21(10-54)75-43)77-45-35(67)39(29(61)18(7-51)73-45)78-42-24(47-14(3)56)32(64)27(59)17(6-50)71-42/h12,17-45,50-54,59-68H,6-11H2,1-5H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)/t12?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28+,29+,30+,31-,32-,33-,34-,35?,36?,37-,38-,39?,40+,41-,42+,43+,44+,45+/m1/s1.
What are the key properties of N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide?
N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide has a molecular weight of 1153.10 g/mol, XLogP of -12.46, 20 rotatable bonds, 19 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5R)-6-[[(2R,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 89111795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).