[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate

C76H88BrCl6N5O26 — CID 132543165

IUPAC[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SMILESCOc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](OCOCCCOCCN=[N+]=[N-])O[C@H](CBr)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@H]3[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C76H88BrCl6N5O26/c1-43(89)99-40-54-61(105-44(2)90)65(106-45(3)91)58(92)71(109-54)113-64-57(87-74(94)76(81,82)83)70(108-55-41-103-68(111-60(55)64)50-24-15-8-16-25-50)112-62-53(39-98-35-49-26-28-51(95-4)29-27-49)110-72(67(102-38-48-22-13-7-14-23-48)66(62)101-37-47-20-11-6-12-21-47)114-63-56(86-73(93)75(78,79)80)69(104-42-97-32-17-31-96-33-30-85-88-84)107-52(34-77)59(63)100-36-46-18-9-5-10-19-46/h5-16,18-29,52-72,92H,17,30-42H2,1-4H3,(H,86,93)(H,87,94)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66+,67-,68?,69-,70+,71+,72-/m1/s1
InChIKeyBSWQIRXNRZOJIB-DJGLVBIXSA-N
MW1780.17 g/mol
LogP9.74
Rot. Bonds38

About [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate (PubChem CID 132543165) has the molecular formula C76H88BrCl6N5O26 and a molecular weight of 1780.17 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
PubChem CID132543165
Molecular FormulaC76H88BrCl6N5O26
Molecular Weight1780.17 g/mol
Exact Mass1775.30
IUPAC Name[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SMILESCOc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](OCOCCCOCCN=[N+]=[N-])O[C@H](CBr)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@H]3[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C76H88BrCl6N5O26/c1-43(89)99-40-54-61(105-44(2)90)65(106-45(3)91)58(92)71(109-54)113-64-57(87-74(94)76(81,82)83)70(108-55-41-103-68(111-60(55)64)50-24-15-8-16-25-50)112-62-53(39-98-35-49-26-28-51(95-4)29-27-49)110-72(67(102-38-48-22-13-7-14-23-48)66(62)101-37-47-20-11-6-12-21-47)114-63-56(86-73(93)75(78,79)80)69(104-42-97-32-17-31-96-33-30-85-88-84)107-52(34-77)59(63)100-36-46-18-9-5-10-19-46/h5-16,18-29,52-72,92H,17,30-42H2,1-4H3,(H,86,93)(H,87,94)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66+,67-,68?,69-,70+,71+,72-/m1/s1
InChIKeyBSWQIRXNRZOJIB-DJGLVBIXSA-N
XLogP9.74
TPSA363.00 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.17
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3R,4R,5S,6S)-4-[[(4aR,6S,7R,8S,8aS)-2-(4-methoxyphenyl)-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxyoxan-3-yl]-2,2,2-trichloroacetamide
CID 132543161
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,4-diacetyloxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
CID 11389239
[(2R,3S,4S,5R,6R)-6-[[(2S,4aR,6S,7R,8R,8aR)-7-acetamido-6-(2-azidoethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 11513215
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aR)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102396030
[(3R,4S,5S,6R)-6-[[(6S,7R,8R,8aR)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 126968659
(2S,4aR,6S,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-[(2R,3R,4S,5R,6S)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11104953
[(3S,4R,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[[(6S,7R,8S,8aR)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]oxan-2-yl]methyl acetate
CID 46779883
[(4aR,6S,7S,8S,8aR)-6-(3-azidopropoxy)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 126686286
[(2R,3R,4S,5S,6R)-6-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 50994797
[(2S,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6S)-3-[(2R,3R,4S,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-3-acetamido-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 101438834
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 101272507
[(2R,3S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)-4-phenylmethoxyoxan-3-yl] acetate
CID 10920171

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate (CID 132543165) is [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate is COc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](OCOCCCOCCN=[N+]=[N-])O[C@H](CBr)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@H]3[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The InChIKey is BSWQIRXNRZOJIB-DJGLVBIXSA-N. The full InChI is InChI=1S/C76H88BrCl6N5O26/c1-43(89)99-40-54-61(105-44(2)90)65(106-45(3)91)58(92)71(109-54)113-64-57(87-74(94)76(81,82)83)70(108-55-41-103-68(111-60(55)64)50-24-15-8-16-25-50)112-62-53(39-98-35-49-26-28-51(95-4)29-27-49)110-72(67(102-38-48-22-13-7-14-23-48)66(62)101-37-47-20-11-6-12-21-47)114-63-56(86-73(93)75(78,79)80)69(104-42-97-32-17-31-96-33-30-85-88-84)107-52(34-77)59(63)100-36-46-18-9-5-10-19-46/h5-16,18-29,52-72,92H,17,30-42H2,1-4H3,(H,86,93)(H,87,94)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66+,67-,68?,69-,70+,71+,72-/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate has a molecular weight of 1780.17 g/mol, XLogP of 9.74, 38 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-6-[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[3-(2-azidoethoxy)propoxymethoxy]-6-(bromomethyl)-5-phenylmethoxy-3-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 132543165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).