[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate

C114H107ClO36 — CID 24815007

IUPAC[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
SMILESCO[C@@]1(C)O[C@H]2[C@H](O[C@]1(C)OC)[C@@H]([C@H](COCc1ccccc1)OC(=O)CCl)O[C@H](O[C@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@@H]3O[C@@H](O[C@H]3COC(C)=O)[C@H]1OCc1ccccc1)[C@H]2O[C@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C114H107ClO36/c1-68(116)130-65-82-87-90(147-110-97(142-107(125)78-57-35-15-36-58-78)91(140-105(123)76-53-31-13-32-54-76)85(138-103(121)74-49-27-11-28-50-74)83(137-110)67-133-101(119)72-45-23-9-24-46-72)92(96(109(136-82)144-87)131-63-70-41-19-7-20-42-70)148-112-99(95-94(150-113(2,127-4)114(3,128-5)151-95)88(146-112)80(134-84(117)61-115)64-129-62-69-39-17-6-18-40-69)149-111-98(143-108(126)79-59-37-16-38-60-79)93(141-106(124)77-55-33-14-34-56-77)89(139-104(122)75-51-29-12-30-52-75)86(145-111)81(135-102(120)73-47-25-10-26-48-73)66-132-100(118)71-43-21-8-22-44-71/h6-60,80-83,85-99,109-112H,61-67H2,1-5H3/t80-,81-,82-,83+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94+,95-,96-,97+,98-,99-,109+,110-,111+,112+,113-,114-/m0/s1
InChIKeyMCJBXJLUEXAJRS-VRNZBHTNSA-N
MW2088.53 g/mol
LogP13.76
Rot. Bonds41

About [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate

[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate (PubChem CID 24815007) has the molecular formula C114H107ClO36 and a molecular weight of 2088.53 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
PubChem CID24815007
Molecular FormulaC114H107ClO36
Molecular Weight2088.53 g/mol
Exact Mass2086.62
IUPAC Name[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
SMILESCO[C@@]1(C)O[C@H]2[C@H](O[C@]1(C)OC)[C@@H]([C@H](COCc1ccccc1)OC(=O)CCl)O[C@H](O[C@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@@H]3O[C@@H](O[C@H]3COC(C)=O)[C@H]1OCc1ccccc1)[C@H]2O[C@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C114H107ClO36/c1-68(116)130-65-82-87-90(147-110-97(142-107(125)78-57-35-15-36-58-78)91(140-105(123)76-53-31-13-32-54-76)85(138-103(121)74-49-27-11-28-50-74)83(137-110)67-133-101(119)72-45-23-9-24-46-72)92(96(109(136-82)144-87)131-63-70-41-19-7-20-42-70)148-112-99(95-94(150-113(2,127-4)114(3,128-5)151-95)88(146-112)80(134-84(117)61-115)64-129-62-69-39-17-6-18-40-69)149-111-98(143-108(126)79-59-37-16-38-60-79)93(141-106(124)77-55-33-14-34-56-77)89(139-104(122)75-51-29-12-30-52-75)86(145-111)81(135-102(120)73-47-25-10-26-48-73)66-132-100(118)71-43-21-8-22-44-71/h6-60,80-83,85-99,109-112H,61-67H2,1-5H3/t80-,81-,82-,83+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94+,95-,96-,97+,98-,99-,109+,110-,111+,112+,113-,114-/m0/s1
InChIKeyMCJBXJLUEXAJRS-VRNZBHTNSA-N
XLogP13.76
TPSA418.52 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.53
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6S)-6-[[(4aR,5R,7S,8R,8aS)-2,3,7-trimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 101374038
[(2R,3R,4S,5S,6R)-6-[[(4aR,5R,7S,8R,8aS)-5-(hydroxymethyl)-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 101374037
[(3R,4S,6R)-3,5-dibenzoyloxy-4-[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2S,4S,5R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl benzoate
CID 140517971
[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2-hydroxy-4-[(4-methoxyphenyl)methoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
CID 171124224
[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-benzoyloxy-3-(4-chlorobenzoyl)oxy-6-[(4-chlorobenzoyl)oxymethyl]oxan-2-yl]oxy-4,5-bis[(4-chlorobenzoyl)oxy]-6-phenylmethoxyoxan-2-yl]methyl 4-chlorobenzoate
CID 71618606
[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 101147265
[6-[2-[(3aS,5S,6S)-2,2-dimethyl-6-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 59701753
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20,25-bis(acetyloxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,30,35-tetrakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl acetate
CID 44606511
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-aminooxan-4-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 44557509
[(2S,3S,4S,5S,6S)-5-benzoyloxy-2-(fluoromethyl)-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-4-yl] benzoate
CID 11051090
methyl (3aR,5S,6R)-7-acetyloxy-6-[(2S,4R,5S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-carboxylate
CID 89041394
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,5S,6S)-2,3,5,6-tetraacetyloxy-4-phenylmethoxycyclohexyl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 102152290

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate (CID 24815007) is [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate is CO[C@@]1(C)O[C@H]2[C@H](O[C@]1(C)OC)[C@@H]([C@H](COCc1ccccc1)OC(=O)CCl)O[C@H](O[C@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@@H]3O[C@@H](O[C@H]3COC(C)=O)[C@H]1OCc1ccccc1)[C@H]2O[C@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate?
The InChIKey is MCJBXJLUEXAJRS-VRNZBHTNSA-N. The full InChI is InChI=1S/C114H107ClO36/c1-68(116)130-65-82-87-90(147-110-97(142-107(125)78-57-35-15-36-58-78)91(140-105(123)76-53-31-13-32-54-76)85(138-103(121)74-49-27-11-28-50-74)83(137-110)67-133-101(119)72-45-23-9-24-46-72)92(96(109(136-82)144-87)131-63-70-41-19-7-20-42-70)148-112-99(95-94(150-113(2,127-4)114(3,128-5)151-95)88(146-112)80(134-84(117)61-115)64-129-62-69-39-17-6-18-40-69)149-111-98(143-108(126)79-59-37-16-38-60-79)93(141-106(124)77-55-33-14-34-56-77)89(139-104(122)75-51-29-12-30-52-75)86(145-111)81(135-102(120)73-47-25-10-26-48-73)66-132-100(118)71-43-21-8-22-44-71/h6-60,80-83,85-99,109-112H,61-67H2,1-5H3/t80-,81-,82-,83+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94+,95-,96-,97+,98-,99-,109+,110-,111+,112+,113-,114-/m0/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate?
[(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate has a molecular weight of 2088.53 g/mol, XLogP of 13.76, 41 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-6-[[(1R,2R,3S,4S,5R,7S)-3-[[(2S,3S,4aR,5R,7R,8S,8aS)-5-[(1S)-1-(2-chloroacetyl)oxy-2-phenylmethoxyethyl]-2,3-dimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1,2-dibenzoyloxyethyl]oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]-7-(acetyloxymethyl)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate is sourced from PubChem (CID 24815007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).