(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane

C59H115N9O31 — CID 161283665

IUPAC(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane
SMILESC.CCC[C@H](O)C(=O)C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O)C1O.CCC[C@H](O)C(=O)N[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O.C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O
InChIInChI=1S/C22H42N4O12.C18H35N3O10.C18H34N2O9.CH4/c1-2-3-9(28)20(34)26-8-4-7(24)18(37-21-12(25)16(32)15(31)11(6-27)36-21)19(13(8)29)38-22-17(33)14(30)10(5-23)35-22;1-5-2-6(20)15(30-17-9(21)13(26)12(25)8(4-22)29-17)16(10(5)23)31-18-14(27)11(24)7(3-19)28-18;1-2-3-9(22)10(23)5-7-4-8(19)17(16(27)13(7)24)29-18-12(20)15(26)14(25)11(6-21)28-18;/h7-19,21-22,27-33H,2-6,23-25H2,1H3,(H,26,34);5-18,22-27H,2-4,19-21H2,1H3;7-9,11-18,21-22,24-27H,2-6,19-20H2,1H3;1H4/t7?,8-,9+,10-,11?,12?,13?,14+,15-,16-,17?,18-,19-,21-,22+;5-,6?,7-,8?,9?,10?,11+,12-,13-,14?,15-,16-,17-,18+;7-,8?,9-,11?,12?,13?,14+,15+,16+,17+,18+;/m110./s1
InChIKeyVFKUNHUTRGIHJK-JCWOTNELSA-N
MW1446.60 g/mol
LogP-14.71
Rot. Bonds24

About (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane

(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane (PubChem CID 161283665) has the molecular formula C59H115N9O31 and a molecular weight of 1446.60 g/mol. Its IUPAC name is (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane.

Molecular Properties

Compound Name(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane
PubChem CID161283665
Molecular FormulaC59H115N9O31
Molecular Weight1446.60 g/mol
Exact Mass1445.77
IUPAC Name(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane
SMILESC.CCC[C@H](O)C(=O)C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O)C1O.CCC[C@H](O)C(=O)N[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O.C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O
InChIInChI=1S/C22H42N4O12.C18H35N3O10.C18H34N2O9.CH4/c1-2-3-9(28)20(34)26-8-4-7(24)18(37-21-12(25)16(32)15(31)11(6-27)36-21)19(13(8)29)38-22-17(33)14(30)10(5-23)35-22;1-5-2-6(20)15(30-17-9(21)13(26)12(25)8(4-22)29-17)16(10(5)23)31-18-14(27)11(24)7(3-19)28-18;1-2-3-9(22)10(23)5-7-4-8(19)17(16(27)13(7)24)29-18-12(20)15(26)14(25)11(6-21)28-18;/h7-19,21-22,27-33H,2-6,23-25H2,1H3,(H,26,34);5-18,22-27H,2-4,19-21H2,1H3;7-9,11-18,21-22,24-27H,2-6,19-20H2,1H3;1H4/t7?,8-,9+,10-,11?,12?,13?,14+,15-,16-,17?,18-,19-,21-,22+;5-,6?,7-,8?,9?,10?,11+,12-,13-,14?,15-,16-,17-,18+;7-,8?,9-,11?,12?,13?,14+,15+,16+,17+,18+;/m110./s1
InChIKeyVFKUNHUTRGIHJK-JCWOTNELSA-N
XLogP-14.71
TPSA731.00 Ų
H-Bond Donors28
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.60
LogP ≤ 5-14.71
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1039

Analyze (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(2R,3R)-5-amino-4-[(3S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
CID 23305069
(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
CID 102093890
(2S)-4-amino-N-[(1R,4R)-5-amino-4-[(2S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
CID 126676897
N-[5-amino-3-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[3-amino-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide
CID 91112282
(2S)-4-amino-N-[(1R,2R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-2-hydroxybutanamide
CID 118566206
(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 71017291
(2S)-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-4-(diaminomethylideneamino)-2-hydroxybutanamide
CID 89137890
(2R)-4-amino-N-[(1S,4R)-5-amino-4-[(2S,5R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[(2R,5R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 139025063
(2S)-2-amino-5-[[(3S)-4-[[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]amino]-3-hydroxy-4-oxobutyl]amino]-5-oxopentanoic acid
CID 90658179
(2S)-N-[(1R,2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-amino-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
CID 163019546
N-[4-[3-acetamido-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
CID 163019545
4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 13019023

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane?
The IUPAC name of (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane (CID 161283665) is (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane.
What is the SMILES notation for (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane?
The canonical SMILES for (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane is C.CCC[C@H](O)C(=O)C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O)C1O.CCC[C@H](O)C(=O)N[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O.C[C@@H]1CC(N)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C2O)C1O.
What is the InChIKey of (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane?
The InChIKey is VFKUNHUTRGIHJK-JCWOTNELSA-N. The full InChI is InChI=1S/C22H42N4O12.C18H35N3O10.C18H34N2O9.CH4/c1-2-3-9(28)20(34)26-8-4-7(24)18(37-21-12(25)16(32)15(31)11(6-27)36-21)19(13(8)29)38-22-17(33)14(30)10(5-23)35-22;1-5-2-6(20)15(30-17-9(21)13(26)12(25)8(4-22)29-17)16(10(5)23)31-18-14(27)11(24)7(3-19)28-18;1-2-3-9(22)10(23)5-7-4-8(19)17(16(27)13(7)24)29-18-12(20)15(26)14(25)11(6-21)28-18;/h7-19,21-22,27-33H,2-6,23-25H2,1H3,(H,26,34);5-18,22-27H,2-4,19-21H2,1H3;7-9,11-18,21-22,24-27H,2-6,19-20H2,1H3;1H4/t7?,8-,9+,10-,11?,12?,13?,14+,15-,16-,17?,18-,19-,21-,22+;5-,6?,7-,8?,9?,10?,11+,12-,13-,14?,15-,16-,17-,18+;7-,8?,9-,11?,12?,13?,14+,15+,16+,17+,18+;/m110./s1.
What are the key properties of (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane?
(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane has a molecular weight of 1446.60 g/mol, XLogP of -14.71, 24 rotatable bonds, 28 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2S)-N-[(1R,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide;(3S)-1-[(1S,3R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-3-hydroxyhexan-2-one;methane is sourced from PubChem (CID 161283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).