About [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide
[(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide (PubChem CID 167695668) has the molecular formula C119H150BrF4I6N24O46S3V-
and a molecular weight of 3717.10 g/mol. Its IUPAC name is [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide.
Frequently Asked Questions
What is the IUPAC name of [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide?
The IUPAC name of [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide (CID 167695668) is [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide.
What is the SMILES notation for [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide?
The canonical SMILES for [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide is C.CC(=O)OCC1O[C@@H](OC(C)=O)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](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)OCC1O[C@@H](SC2O[C@H](COC(C)=O)C(OC(C)=O)C(n3cc(-c4cccc(F)c4)nn3)[C@H]2C)C(OC(C)=O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1OC(C)=O.CC(=O)OCC1O[C@H](Br)C(C)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CI.I.IC(I)I.OCC1O[C@@H](SC2O[C@H](CO)C(O)C(n3cc(-c4cccc(F)c4)nn3)[C@H]2O)C(O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O.[CH2-]I.[V].
What is the InChIKey of [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide?
The InChIKey is LWKMYZBRWWNYEL-WHWQNDJQSA-N. The full InChI is InChI=1S/C39H42F2N6O12S.C28H30F2N6O8S.C23H32N6O12S.C14H19N3O9.C11H16BrN3O5.CHI3.CH3I.CH2I.CH4.HI.V/c1-19-33(46-15-29(42-44-46)25-9-7-11-27(40)13-25)35(55-22(4)50)31(17-53-20(2)48)58-38(19)60-39-37(57-24(6)52)34(36(56-23(5)51)32(59-39)18-54-21(3)49)47-16-30(43-45-47)26-10-8-12-28(41)14-26;29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14;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;1-6(18)22-5-10-12(23-7(2)19)11(16-17-15)13(24-8(3)20)14(26-10)25-9(4)21;1-5-9(14-15-13)10(19-7(3)17)8(20-11(5)12)4-18-6(2)16;2-1(3)4;2*1-2;;;/h7-16,19,31-39H,17-18H2,1-6H3;1-10,19-28,37-42H,11-12H2;9,15-23H,7-8H2,1-6H3;10-14H,5H2,1-4H3;5,8-11H,4H2,1-3H3;1H;1H3;1H2;1H4;1H;/q;;;;;;;-1;;;/t19-,31-,32?,33?,34+,35?,36+,37?,38?,39+;19-,20?,21?,22+,23?,24+,25-,26?,27?,28+;9-,15-,16?,17?,18+,19?,20+,21?,22?,23+;10?,11-,12-,13?,14+;5?,8?,9-,10+,11+;;;;;;/m11101....../s1.
What are the key properties of [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide?
[(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide has a molecular weight of 3717.10 g/mol, XLogP of 14.35, 42 rotatable bonds, 6 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,6R)-3-acetyloxy-4-azido-6-bromo-5-methyloxan-2-yl]methyl acetate;[(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-6-[(2S,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]-5-methyloxan-2-yl]methyl acetate;(2S,4S,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(3R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol;iodoform;iodomethane;iodomethane;methane;[(3R,4S,6S)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate;vanadium;hydroiodide is sourced from PubChem (CID 167695668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).