[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate

C245H212N8O66SSi2 — CID 159037870

IUPAC[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate
SMILESCO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](OC4OC(COC(=O)c5ccccc5)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c5ccccc5)[C@@H]4N4C(=O)c5ccccc5C4=O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.Cc1ccc(SC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C119H102N4O33Si.C85H67N3O25.C41H43NO8SSi/c1-119(2,3)157(5,6)156-94-86(66-144-110(135)70-45-21-10-22-46-70)148-118(90(98(94)152-114(139)74-53-29-14-30-54-74)123-105(130)81-61-37-38-62-82(81)106(123)131)155-93-85(65-143-109(134)69-43-19-9-20-44-69)147-117(89(97(93)151-113(138)73-51-27-13-28-52-73)122-103(128)79-59-35-36-60-80(79)104(122)129)154-92-84(64-142-108(133)68-41-17-8-18-42-68)146-116(88(96(92)150-112(137)72-49-25-12-26-50-72)121-101(126)77-57-33-34-58-78(77)102(121)127)153-91-83(63-141-107(132)67-39-15-7-16-40-67)145-115(140-4)87(95(91)149-111(136)71-47-23-11-24-48-71)120-99(124)75-55-31-32-56-76(75)100(120)125;1-102-83-63(87-73(92)55-40-22-23-41-56(55)74(87)93)69(110-81(100)51-34-16-6-17-35-51)66(60(107-83)45-104-78(97)48-28-10-3-11-29-48)113-85-64(88-75(94)57-42-24-25-43-58(57)76(88)95)70(111-82(101)52-36-18-7-19-37-52)67(61(108-85)46-105-79(98)49-30-12-4-13-31-49)112-84-62(86-71(90)53-38-20-21-39-54(53)72(86)91)68(109-80(99)50-32-14-5-15-33-50)65(89)59(106-84)44-103-77(96)47-26-8-2-9-27-47;1-26-21-23-29(24-22-26)51-40-33(42-36(43)30-19-13-14-20-31(30)37(42)44)35(49-39(46)28-17-11-8-12-18-28)34(50-52(5,6)41(2,3)4)32(48-40)25-47-38(45)27-15-9-7-10-16-27/h7-62,83-98,115-118H,63-66H2,1-6H3;2-43,59-70,83-85,89H,44-46H2,1H3;7-24,32-35,40H,25H2,1-6H3/t83?,84?,85?,86?,87-,88+,89-,90+,91+,92?,93+,94?,95?,96-,97?,98-,115+,116?,117-,118?;59?,60?,61?,62-,63-,64+,65+,66+,67?,68?,69?,70+,83+,84-,85?;/m11./s1
InChIKeyJVRHZVFXQIDFQR-UPOHHHIPSA-N
MW4412.62 g/mol
LogP30.20
Rot. Bonds66

About [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate

[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate (PubChem CID 159037870) has the molecular formula C245H212N8O66SSi2 and a molecular weight of 4412.62 g/mol. Its IUPAC name is [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate
PubChem CID159037870
Molecular FormulaC245H212N8O66SSi2
Molecular Weight4412.62 g/mol
Exact Mass4409.27
IUPAC Name[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate
SMILESCO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](OC4OC(COC(=O)c5ccccc5)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c5ccccc5)[C@@H]4N4C(=O)c5ccccc5C4=O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.Cc1ccc(SC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C119H102N4O33Si.C85H67N3O25.C41H43NO8SSi/c1-119(2,3)157(5,6)156-94-86(66-144-110(135)70-45-21-10-22-46-70)148-118(90(98(94)152-114(139)74-53-29-14-30-54-74)123-105(130)81-61-37-38-62-82(81)106(123)131)155-93-85(65-143-109(134)69-43-19-9-20-44-69)147-117(89(97(93)151-113(138)73-51-27-13-28-52-73)122-103(128)79-59-35-36-60-80(79)104(122)129)154-92-84(64-142-108(133)68-41-17-8-18-42-68)146-116(88(96(92)150-112(137)72-49-25-12-26-50-72)121-101(126)77-57-33-34-58-78(77)102(121)127)153-91-83(63-141-107(132)67-39-15-7-16-40-67)145-115(140-4)87(95(91)149-111(136)71-47-23-11-24-48-71)120-99(124)75-55-31-32-56-76(75)100(120)125;1-102-83-63(87-73(92)55-40-22-23-41-56(55)74(87)93)69(110-81(100)51-34-16-6-17-35-51)66(60(107-83)45-104-78(97)48-28-10-3-11-29-48)113-85-64(88-75(94)57-42-24-25-43-58(57)76(88)95)70(111-82(101)52-36-18-7-19-37-52)67(61(108-85)46-105-79(98)49-30-12-4-13-31-49)112-84-62(86-71(90)53-38-20-21-39-54(53)72(86)91)68(109-80(99)50-32-14-5-15-33-50)65(89)59(106-84)44-103-77(96)47-26-8-2-9-27-47;1-26-21-23-29(24-22-26)51-40-33(42-36(43)30-19-13-14-20-31(30)37(42)44)35(49-39(46)28-17-11-8-12-18-28)34(50-52(5,6)41(2,3)4)32(48-40)25-47-38(45)27-15-9-7-10-16-27/h7-62,83-98,115-118H,63-66H2,1-6H3;2-43,59-70,83-85,89H,44-46H2,1H3;7-24,32-35,40H,25H2,1-6H3/t83?,84?,85?,86?,87-,88+,89-,90+,91+,92?,93+,94?,95?,96-,97?,98-,115+,116?,117-,118?;59?,60?,61?,62-,63-,64+,65+,66+,67?,68?,69?,70+,83+,84-,85?;/m11./s1
InChIKeyJVRHZVFXQIDFQR-UPOHHHIPSA-N
XLogP30.20
TPSA896.98 Ų
H-Bond Donors1
H-Bond Acceptors67
Rotatable Bonds66
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004412.62
LogP ≤ 530.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1067

Analyze [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane
CID 158054532
[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate
CID 89201901
[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one
CID 159918474
[(4R,5R)-4-benzoyloxy-6-[(3R,5S,6R)-4-benzoyloxy-6-[(4R,5R)-4-benzoyloxy-6-[(3R,5S,6S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-2-ethyl-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-2-ethyloxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate
CID 58771475
[(5S)-3-[(2S,3R,5R)-4-benzoyloxy-5-[(3S)-5-[(2S,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl benzoate
CID 140512129
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6S)-2-(acetyloxymethyl)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 88950657
[(3S,5S,6S)-6-[(4R,5R)-2-(benzoyloxymethyl)-6-[(3S,5S,6S)-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxy-4-methyloxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-methyloxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-4-methyloxan-2-yl]methyl benzoate
CID 58036132
[(2R,3R,4R,5R,6S)-5-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxan-4-yl] benzoate
CID 69037132
[(4R,5S)-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxy-4-methyloxan-2-yl]methyl benzoate
CID 67519057
[(2R,3S,4S,5R,6S)-3-acetyloxy-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanyloxan-2-yl]methyl benzoate
CID 11664564
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4R,5R,6S)-4-acetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyl-3-phenylmethoxyoxan-2-yl]methoxy]-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate
CID 52921126
[(2R,3R,4R,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995736

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate?
The IUPAC name of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate (CID 159037870) is [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate.
What is the SMILES notation for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate?
The canonical SMILES for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate is CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[C@H]3OC(COC(=O)c4ccccc4)[C@H](OC4OC(COC(=O)c5ccccc5)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c5ccccc5)[C@@H]4N4C(=O)c5ccccc5C4=O)C(OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.Cc1ccc(SC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate?
The InChIKey is JVRHZVFXQIDFQR-UPOHHHIPSA-N. The full InChI is InChI=1S/C119H102N4O33Si.C85H67N3O25.C41H43NO8SSi/c1-119(2,3)157(5,6)156-94-86(66-144-110(135)70-45-21-10-22-46-70)148-118(90(98(94)152-114(139)74-53-29-14-30-54-74)123-105(130)81-61-37-38-62-82(81)106(123)131)155-93-85(65-143-109(134)69-43-19-9-20-44-69)147-117(89(97(93)151-113(138)73-51-27-13-28-52-73)122-103(128)79-59-35-36-60-80(79)104(122)129)154-92-84(64-142-108(133)68-41-17-8-18-42-68)146-116(88(96(92)150-112(137)72-49-25-12-26-50-72)121-101(126)77-57-33-34-58-78(77)102(121)127)153-91-83(63-141-107(132)67-39-15-7-16-40-67)145-115(140-4)87(95(91)149-111(136)71-47-23-11-24-48-71)120-99(124)75-55-31-32-56-76(75)100(120)125;1-102-83-63(87-73(92)55-40-22-23-41-56(55)74(87)93)69(110-81(100)51-34-16-6-17-35-51)66(60(107-83)45-104-78(97)48-28-10-3-11-29-48)113-85-64(88-75(94)57-42-24-25-43-58(57)76(88)95)70(111-82(101)52-36-18-7-19-37-52)67(61(108-85)46-105-79(98)49-30-12-4-13-31-49)112-84-62(86-71(90)53-38-20-21-39-54(53)72(86)91)68(109-80(99)50-32-14-5-15-33-50)65(89)59(106-84)44-103-77(96)47-26-8-2-9-27-47;1-26-21-23-29(24-22-26)51-40-33(42-36(43)30-19-13-14-20-31(30)37(42)44)35(49-39(46)28-17-11-8-12-18-28)34(50-52(5,6)41(2,3)4)32(48-40)25-47-38(45)27-15-9-7-10-16-27/h7-62,83-98,115-118H,63-66H2,1-6H3;2-43,59-70,83-85,89H,44-46H2,1H3;7-24,32-35,40H,25H2,1-6H3/t83?,84?,85?,86?,87-,88+,89-,90+,91+,92?,93+,94?,95?,96-,97?,98-,115+,116?,117-,118?;59?,60?,61?,62-,63-,64+,65+,66+,67?,68?,69?,70+,83+,84-,85?;/m11./s1.
What are the key properties of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate?
[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate has a molecular weight of 4412.62 g/mol, XLogP of 30.20, 66 rotatable bonds, 1 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(3R,5R,6R)-4-benzoyloxy-6-[(4S,5S)-4-benzoyloxy-6-[(3R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;[4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate is sourced from PubChem (CID 159037870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).