(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

C77H136N4O54 — CID 129200208

IUPAC(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
SMILESCC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)[C@@H]2O)[C@H](CO)O[C@H]1O[C@@H]1C(O)[C@H](O)C(CO)O[C@@H]1OCC(O[C@@H](O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O)[C@@H](C)C2O)[C@@H](C)C1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)C2O)[C@H](O)C1C)[C@H](C)O
InChIInChI=1S/C77H136N4O54/c1-20-41(96)57(32(12-86)119-65(20)112)128-66-21(2)42(97)58(33(13-87)122-66)129-69(29(95)16-115-72-63(53(108)47(102)30(10-84)120-72)132-67-22(3)43(98)59(34(14-88)123-67)130-70-55(110)51(106)49(104)37(126-70)18-117-76(74(80)113)6-25(91)39(78)61(134-76)45(100)27(93)8-82)125-36(24(5)90)17-116-73-64(54(109)48(103)31(11-85)121-73)133-68-23(4)44(99)60(35(15-89)124-68)131-71-56(111)52(107)50(105)38(127-71)19-118-77(75(81)114)7-26(92)40(79)62(135-77)46(101)28(94)9-83/h20-73,82-112H,6-19,78-79H2,1-5H3,(H2,80,113)(H2,81,114)/t20-,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+,46+,47+,48+,49-,50-,51?,52?,53?,54?,55?,56-,57+,58+,59+,60+,61?,62?,63?,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,76+,77+/m0/s1
InChIKeyRUWMDOPBZPVXNZ-WFOGVWHQSA-N
MW1981.91 g/mol
LogP-22.10
Rot. Bonds42

About (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (PubChem CID 129200208) has the molecular formula C77H136N4O54 and a molecular weight of 1981.91 g/mol. Its IUPAC name is (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
PubChem CID129200208
Molecular FormulaC77H136N4O54
Molecular Weight1981.91 g/mol
Exact Mass1980.80
IUPAC Name(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
SMILESCC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)[C@@H]2O)[C@H](CO)O[C@H]1O[C@@H]1C(O)[C@H](O)C(CO)O[C@@H]1OCC(O[C@@H](O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O)[C@@H](C)C2O)[C@@H](C)C1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)C2O)[C@H](O)C1C)[C@H](C)O
InChIInChI=1S/C77H136N4O54/c1-20-41(96)57(32(12-86)119-65(20)112)128-66-21(2)42(97)58(33(13-87)122-66)129-69(29(95)16-115-72-63(53(108)47(102)30(10-84)120-72)132-67-22(3)43(98)59(34(14-88)123-67)130-70-55(110)51(106)49(104)37(126-70)18-117-76(74(80)113)6-25(91)39(78)61(134-76)45(100)27(93)8-82)125-36(24(5)90)17-116-73-64(54(109)48(103)31(11-85)121-73)133-68-23(4)44(99)60(35(15-89)124-68)131-71-56(111)52(107)50(105)38(127-71)19-118-77(75(81)114)7-26(92)40(79)62(135-77)46(101)28(94)9-83/h20-73,82-112H,6-19,78-79H2,1-5H3,(H2,80,113)(H2,81,114)/t20-,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+,46+,47+,48+,49-,50-,51?,52?,53?,54?,55?,56-,57+,58+,59+,60+,61?,62?,63?,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,76+,77+/m0/s1
InChIKeyRUWMDOPBZPVXNZ-WFOGVWHQSA-N
XLogP-22.10
TPSA959.18 Ų
H-Bond Donors35
H-Bond Acceptors56
Rotatable Bonds42
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001981.91
LogP ≤ 5-22.10
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide?
The IUPAC name of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CID 129200208) is (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide.
What is the SMILES notation for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide?
The canonical SMILES for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide is CC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)[C@@H]2O)[C@H](CO)O[C@H]1O[C@@H]1C(O)[C@H](O)C(CO)O[C@@H]1OCC(O[C@@H](O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O)[C@@H](C)C2O)[C@@H](C)C1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(N)=O)C[C@@H](O)[C@@H](N)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)C2O)[C@H](O)C1C)[C@H](C)O.
What is the InChIKey of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide?
The InChIKey is RUWMDOPBZPVXNZ-WFOGVWHQSA-N. The full InChI is InChI=1S/C77H136N4O54/c1-20-41(96)57(32(12-86)119-65(20)112)128-66-21(2)42(97)58(33(13-87)122-66)129-69(29(95)16-115-72-63(53(108)47(102)30(10-84)120-72)132-67-22(3)43(98)59(34(14-88)123-67)130-70-55(110)51(106)49(104)37(126-70)18-117-76(74(80)113)6-25(91)39(78)61(134-76)45(100)27(93)8-82)125-36(24(5)90)17-116-73-64(54(109)48(103)31(11-85)121-73)133-68-23(4)44(99)60(35(15-89)124-68)131-71-56(111)52(107)50(105)38(127-71)19-118-77(75(81)114)7-26(92)40(79)62(135-77)46(101)28(94)9-83/h20-73,82-112H,6-19,78-79H2,1-5H3,(H2,80,113)(H2,81,114)/t20-,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+,46+,47+,48+,49-,50-,51?,52?,53?,54?,55?,56-,57+,58+,59+,60+,61?,62?,63?,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,76+,77+/m0/s1.
What are the key properties of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide?
(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide has a molecular weight of 1981.91 g/mol, XLogP of -22.10, 42 rotatable bonds, 35 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,4R,6S)-6-[(2S,5S,6R)-2-[(2R,3S)-3-[(3S)-1-[(2S,3R,5S)-3-[(2S,5S,6S)-5-[(2S,3S,5R)-6-[[(2R,4R,5R)-5-amino-2-carbamoyl-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxybutan-2-yl]oxy-3-[(3S,5S,6S)-6-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide is sourced from PubChem (CID 129200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).