(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide

C107H209N5O45 — CID 164968502

IUPAC(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide
SMILESCCC(C)C[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CC(C)CC.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C
InChIInChI=1S/3C22H43NO9.C21H41NO9.C20H39NO9/c1-5-13(4)8-14(25)9-18(27)23-15(16(26)7-6-12(2)3)11-31-22-21(30)20(29)19(28)17(10-24)32-22;1-4-5-6-7-14(25)10-18(27)23-15(16(26)9-8-13(2)3)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-6-7-8-14(25)10-18(27)23-15(16(26)9-13(3)5-2)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-5-6-13(24)9-17(26)22-14(15(25)8-7-12(2)3)11-30-21-20(29)19(28)18(27)16(10-23)31-21;1-4-5-12(23)8-16(25)21-13(14(24)7-6-11(2)3)10-29-20-19(28)18(27)17(26)15(9-22)30-20/h12-17,19-22,24-26,28-30H,5-11H2,1-4H3,(H,23,27);2*13-17,19-22,24-26,28-30H,4-12H2,1-3H3,(H,23,27);12-16,18-21,23-25,27-29H,4-11H2,1-3H3,(H,22,26);11-15,17-20,22-24,26-28H,4-10H2,1-3H3,(H,21,25)/t13?,14-,15+,16-,17?,19+,20+,21?,22+;14-,15?,16-,17?,19+,20+,21?,22+;13?,14-,15?,16-,17?,19+,20+,21?,22+;13-,14+,15-,16?,18+,19+,20?,21+;12-,13+,14-,15?,17+,18+,19?,20+/m11111/s1
InChIKeyCUKBWYMADJANPY-PGFJYQEHSA-N
MW2285.84 g/mol
LogP-4.23
Rot. Bonds71

About (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide

(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide (PubChem CID 164968502) has the molecular formula C107H209N5O45 and a molecular weight of 2285.84 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide
PubChem CID164968502
Molecular FormulaC107H209N5O45
Molecular Weight2285.84 g/mol
Exact Mass2284.42
IUPAC Name(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide
SMILESCCC(C)C[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CC(C)CC.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C
InChIInChI=1S/3C22H43NO9.C21H41NO9.C20H39NO9/c1-5-13(4)8-14(25)9-18(27)23-15(16(26)7-6-12(2)3)11-31-22-21(30)20(29)19(28)17(10-24)32-22;1-4-5-6-7-14(25)10-18(27)23-15(16(26)9-8-13(2)3)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-6-7-8-14(25)10-18(27)23-15(16(26)9-13(3)5-2)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-5-6-13(24)9-17(26)22-14(15(25)8-7-12(2)3)11-30-21-20(29)19(28)18(27)16(10-23)31-21;1-4-5-12(23)8-16(25)21-13(14(24)7-6-11(2)3)10-29-20-19(28)18(27)17(26)15(9-22)30-20/h12-17,19-22,24-26,28-30H,5-11H2,1-4H3,(H,23,27);2*13-17,19-22,24-26,28-30H,4-12H2,1-3H3,(H,23,27);12-16,18-21,23-25,27-29H,4-11H2,1-3H3,(H,22,26);11-15,17-20,22-24,26-28H,4-10H2,1-3H3,(H,21,25)/t13?,14-,15+,16-,17?,19+,20+,21?,22+;14-,15?,16-,17?,19+,20+,21?,22+;13?,14-,15?,16-,17?,19+,20+,21?,22+;13-,14+,15-,16?,18+,19+,20?,21+;12-,13+,14-,15?,17+,18+,19?,20+/m11111/s1
InChIKeyCUKBWYMADJANPY-PGFJYQEHSA-N
XLogP-4.23
TPSA844.70 Ų
H-Bond Donors35
H-Bond Acceptors45
Rotatable Bonds71
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.84
LogP ≤ 5-4.23
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-hydroxy-N-[(2S,3R,5R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide
CID 164745271
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhenicosan-2-yl]decanamide
CID 133017040
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptacosan-2-yl]pentatriacontanamide
CID 138218949
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]hexacosanamide
CID 56661080
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricosan-2-yl]pentadecanamide
CID 138228471
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-2-yl]triacontanamide
CID 138124814
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexacosan-2-yl]hexatriacontanamide
CID 138174503
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadecan-2-yl]hexadecanamide
CID 133016852
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]nonacosanamide
CID 138152839
N-[(2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhenicosan-2-yl]octadecanamide
CID 134725336
N-[(2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecan-2-yl]tetradecanamide
CID 134743302
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonacosan-2-yl]pentacosanamide
CID 138116689

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide?
The IUPAC name of (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide (CID 164968502) is (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide?
The canonical SMILES for (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide is CCC(C)C[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CC(C)CC.CCCCC[C@@H](O)CC(=O)NC(CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.CCC[C@@H](O)CC(=O)N[C@@H](CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1O)[C@H](O)CCC(C)C.
What is the InChIKey of (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide?
The InChIKey is CUKBWYMADJANPY-PGFJYQEHSA-N. The full InChI is InChI=1S/3C22H43NO9.C21H41NO9.C20H39NO9/c1-5-13(4)8-14(25)9-18(27)23-15(16(26)7-6-12(2)3)11-31-22-21(30)20(29)19(28)17(10-24)32-22;1-4-5-6-7-14(25)10-18(27)23-15(16(26)9-8-13(2)3)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-6-7-8-14(25)10-18(27)23-15(16(26)9-13(3)5-2)12-31-22-21(30)20(29)19(28)17(11-24)32-22;1-4-5-6-13(24)9-17(26)22-14(15(25)8-7-12(2)3)11-30-21-20(29)19(28)18(27)16(10-23)31-21;1-4-5-12(23)8-16(25)21-13(14(24)7-6-11(2)3)10-29-20-19(28)18(27)17(26)15(9-22)30-20/h12-17,19-22,24-26,28-30H,5-11H2,1-4H3,(H,23,27);2*13-17,19-22,24-26,28-30H,4-12H2,1-3H3,(H,23,27);12-16,18-21,23-25,27-29H,4-11H2,1-3H3,(H,22,26);11-15,17-20,22-24,26-28H,4-10H2,1-3H3,(H,21,25)/t13?,14-,15+,16-,17?,19+,20+,21?,22+;14-,15?,16-,17?,19+,20+,21?,22+;13?,14-,15?,16-,17?,19+,20+,21?,22+;13-,14+,15-,16?,18+,19+,20?,21+;12-,13+,14-,15?,17+,18+,19?,20+/m11111/s1.
What are the key properties of (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide?
(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide has a molecular weight of 2285.84 g/mol, XLogP of -4.23, 71 rotatable bonds, 35 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]heptanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]hexanamide;(3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-5-methylheptanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-5-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide;(3R)-3-hydroxy-N-[(3R)-3-hydroxy-6-methyl-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]octanamide is sourced from PubChem (CID 164968502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).