[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate

C80H137N3O56 — CID 161010573

IUPAC[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
SMILESC.C#CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O[C@H]2OC(COC(=O)CN=[N+]=[N-])[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C17H26O11.2C16H28O11.C15H25N3O11.C15H26O12.CH4/c1-3-5-9(18)25-6-8-11(20)13(22)15(24)17(27-8)28-16-14(23)12(21)10(19)7(4-2)26-16;2*1-3-6-9(18)11(20)13(22)15(25-6)27-16-14(23)12(21)10(19)7(26-16)5-24-8(17)4-2;1-2-5-8(20)10(22)12(24)14(27-5)29-15-13(25)11(23)9(21)6(28-15)4-26-7(19)3-17-18-16;1-2-7(17)24-4-6-9(19)11(21)13(23)15(26-6)27-14-12(22)10(20)8(18)5(3-16)25-14;/h1,7-8,10-17,19-24H,4-6H2,2H3;2*6-7,9-16,18-23H,3-5H2,1-2H3;5-6,8-15,20-25H,2-4H2,1H3;5-6,8-16,18-23H,2-4H2,1H3;1H4/t7?,8?,10-,11-,12?,13+,14-,15?,16-,17-;2*6?,7?,9-,10-,11?,12+,13-,14?,15-,16-;2*5?,6?,8-,9-,10?,11+,12-,13?,14-,15-;/m11111./s1
InChIKeyTXBOEMAZZZDVCN-ZSTOQARTSA-N
MW2036.94 g/mol
LogP-16.36
Rot. Bonds31

About [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate

[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate (PubChem CID 161010573) has the molecular formula C80H137N3O56 and a molecular weight of 2036.94 g/mol. Its IUPAC name is [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate.

Molecular Properties

Compound Name[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
PubChem CID161010573
Molecular FormulaC80H137N3O56
Molecular Weight2036.94 g/mol
Exact Mass2035.80
IUPAC Name[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
SMILESC.C#CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O[C@H]2OC(COC(=O)CN=[N+]=[N-])[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C17H26O11.2C16H28O11.C15H25N3O11.C15H26O12.CH4/c1-3-5-9(18)25-6-8-11(20)13(22)15(24)17(27-8)28-16-14(23)12(21)10(19)7(4-2)26-16;2*1-3-6-9(18)11(20)13(22)15(25-6)27-16-14(23)12(21)10(19)7(26-16)5-24-8(17)4-2;1-2-5-8(20)10(22)12(24)14(27-5)29-15-13(25)11(23)9(21)6(28-15)4-26-7(19)3-17-18-16;1-2-7(17)24-4-6-9(19)11(21)13(23)15(26-6)27-14-12(22)10(20)8(18)5(3-16)25-14;/h1,7-8,10-17,19-24H,4-6H2,2H3;2*6-7,9-16,18-23H,3-5H2,1-2H3;5-6,8-15,20-25H,2-4H2,1H3;5-6,8-16,18-23H,2-4H2,1H3;1H4/t7?,8?,10-,11-,12?,13+,14-,15?,16-,17-;2*6?,7?,9-,10-,11?,12+,13-,14?,15-,16-;2*5?,6?,8-,9-,10?,11+,12-,13?,14-,15-;/m11111./s1
InChIKeyTXBOEMAZZZDVCN-ZSTOQARTSA-N
XLogP-16.36
TPSA945.84 Ų
H-Bond Donors31
H-Bond Acceptors57
Rotatable Bonds31
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002036.94
LogP ≤ 5-16.36
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate with MolForge

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Launch Full Analysis

Related Compounds

[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
CID 160564439
[(3R,4S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5R)-3,4,5-trihydroxy-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
CID 58422930
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl propanoate
CID 44538333
[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 121422592
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hexadecanoate
CID 53484087
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl octanoate
CID 122216450
(2R,3S,4S,5R,6R)-2-(azidomethyl)-6-[(2R,3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 15954113
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate?
The IUPAC name of [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate (CID 161010573) is [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate.
What is the SMILES notation for [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate?
The canonical SMILES for [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate is C.C#CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CC)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC(=O)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O[C@H]2OC(COC(=O)CN=[N+]=[N-])[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate?
The InChIKey is TXBOEMAZZZDVCN-ZSTOQARTSA-N. The full InChI is InChI=1S/C17H26O11.2C16H28O11.C15H25N3O11.C15H26O12.CH4/c1-3-5-9(18)25-6-8-11(20)13(22)15(24)17(27-8)28-16-14(23)12(21)10(19)7(4-2)26-16;2*1-3-6-9(18)11(20)13(22)15(25-6)27-16-14(23)12(21)10(19)7(26-16)5-24-8(17)4-2;1-2-5-8(20)10(22)12(24)14(27-5)29-15-13(25)11(23)9(21)6(28-15)4-26-7(19)3-17-18-16;1-2-7(17)24-4-6-9(19)11(21)13(23)15(26-6)27-14-12(22)10(20)8(18)5(3-16)25-14;/h1,7-8,10-17,19-24H,4-6H2,2H3;2*6-7,9-16,18-23H,3-5H2,1-2H3;5-6,8-15,20-25H,2-4H2,1H3;5-6,8-16,18-23H,2-4H2,1H3;1H4/t7?,8?,10-,11-,12?,13+,14-,15?,16-,17-;2*6?,7?,9-,10-,11?,12+,13-,14?,15-,16-;2*5?,6?,8-,9-,10?,11+,12-,13?,14-,15-;/m11111./s1.
What are the key properties of [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate?
[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate has a molecular weight of 2036.94 g/mol, XLogP of -16.36, 31 rotatable bonds, 31 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-azidoacetate;[(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl but-3-ynoate;bis([(3S,4S,6R)-6-[(2R,3R,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate);methane;[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate is sourced from PubChem (CID 161010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).