[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C82H96F6N18O32S43 — CID 158521021

IUPAC[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC(C)=O.OCC1O[C@@H](SC2O[C@H](CO)C(O)C(n3cc(-c4ccccc4)nn3)[C@H]2O)C(O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O.S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C31H35F3N6O12S.C28H29F3N6O8S.C23H32N6O12S.S21.S10.S9/c1-12-25(37-38-35)27(48-15(4)43)22(10-46-13(2)41)51-30(12)53-31-29(50-17(6)45)26(28(49-16(5)44)23(52-31)11-47-14(3)42)40-9-21(36-39-40)18-7-19(32)24(34)20(33)8-18;29-14-6-13(7-15(30)20(14)31)17-9-37(35-33-17)22-24(41)19(11-39)45-28(26(22)43)46-27-25(42)21(23(40)18(10-38)44-27)36-8-16(32-34-36)12-4-2-1-3-5-12;1-9-17(26-28-24)19(37-12(4)32)15(7-35-10(2)30)40-22(9)42-23-21(39-14(6)34)18(27-29-25)20(38-13(5)33)16(41-23)8-36-11(3)31;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h7-9,12,22-23,25-31H,10-11H2,1-6H3;1-9,18-19,21-28,38-43H,10-11H2;9,15-23H,7-8H2,1-6H3;;;/t12-,22-,23?,25?,26+,27?,28+,29?,30?,31+;18-,19?,21?,22+,23?,24+,25-,26?,27?,28+;9-,15-,16?,17?,18+,19?,20+,21?,22?,23+;;;/m111.../s1
InChIKeyHMFFFWUWKMNNJU-JOYXQITISA-N
MW3338.63 g/mol
LogP5.33
Rot. Bonds31

About [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 158521021) has the molecular formula C82H96F6N18O32S43 and a molecular weight of 3338.63 g/mol. Its IUPAC name is [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Name[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID158521021
Molecular FormulaC82H96F6N18O32S43
Molecular Weight3338.63 g/mol
Exact Mass3333.43
IUPAC Name[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC(C)=O.OCC1O[C@@H](SC2O[C@H](CO)C(O)C(n3cc(-c4ccccc4)nn3)[C@H]2O)C(O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O.S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C31H35F3N6O12S.C28H29F3N6O8S.C23H32N6O12S.S21.S10.S9/c1-12-25(37-38-35)27(48-15(4)43)22(10-46-13(2)41)51-30(12)53-31-29(50-17(6)45)26(28(49-16(5)44)23(52-31)11-47-14(3)42)40-9-21(36-39-40)18-7-19(32)24(34)20(33)8-18;29-14-6-13(7-15(30)20(14)31)17-9-37(35-33-17)22-24(41)19(11-39)45-28(26(22)43)46-27-25(42)21(23(40)18(10-38)44-27)36-8-16(32-34-36)12-4-2-1-3-5-12;1-9-17(26-28-24)19(37-12(4)32)15(7-35-10(2)30)40-22(9)42-23-21(39-14(6)34)18(27-29-25)20(38-13(5)33)16(41-23)8-36-11(3)31;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h7-9,12,22-23,25-31H,10-11H2,1-6H3;1-9,18-19,21-28,38-43H,10-11H2;9,15-23H,7-8H2,1-6H3;;;/t12-,22-,23?,25?,26+,27?,28+,29?,30?,31+;18-,19?,21?,22+,23?,24+,25-,26?,27?,28+;9-,15-,16?,17?,18+,19?,20+,21?,22?,23+;;;/m111.../s1
InChIKeyHMFFFWUWKMNNJU-JOYXQITISA-N
XLogP5.33
TPSA678.17 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds31
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003338.63
LogP ≤ 55.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

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': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 158521021) is [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is CC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(N=[N+]=[N-])[C@H]2C)C(OC(C)=O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC(C)=O.OCC1O[C@@H](SC2O[C@H](CO)C(O)C(n3cc(-c4ccccc4)nn3)[C@H]2O)C(O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O.S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is HMFFFWUWKMNNJU-JOYXQITISA-N. The full InChI is InChI=1S/C31H35F3N6O12S.C28H29F3N6O8S.C23H32N6O12S.S21.S10.S9/c1-12-25(37-38-35)27(48-15(4)43)22(10-46-13(2)41)51-30(12)53-31-29(50-17(6)45)26(28(49-16(5)44)23(52-31)11-47-14(3)42)40-9-21(36-39-40)18-7-19(32)24(34)20(33)8-18;29-14-6-13(7-15(30)20(14)31)17-9-37(35-33-17)22-24(41)19(11-39)45-28(26(22)43)46-27-25(42)21(23(40)18(10-38)44-27)36-8-16(32-34-36)12-4-2-1-3-5-12;1-9-17(26-28-24)19(37-12(4)32)15(7-35-10(2)30)40-22(9)42-23-21(39-14(6)34)18(27-29-25)20(38-13(5)33)16(41-23)8-36-11(3)31;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h7-9,12,22-23,25-31H,10-11H2,1-6H3;1-9,18-19,21-28,38-43H,10-11H2;9,15-23H,7-8H2,1-6H3;;;/t12-,22-,23?,25?,26+,27?,28+,29?,30?,31+;18-,19?,21?,22+,23?,24+,25-,26?,27?,28+;9-,15-,16?,17?,18+,19?,20+,21?,22?,23+;;;/m111.../s1.
What are the key properties of [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 3338.63 g/mol, XLogP of 5.33, 31 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-azidooxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;[(2R,5R)-3-acetyloxy-4-azido-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-5-methyloxan-2-yl]methyl acetate;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(3R,6R)-2-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)oxane-3,5-diol;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 158521021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).