(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate

C75H84N8O24 — CID 158384709

IUPAC(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate
SMILESCC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O)[C@H]1OCc1ccccc1.CC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O[C@H]2OC3COC(c4ccccc4)O[C@H]3[C@@H](OCc3ccccc3)C2N=[N+]=[N-])[C@H]1OCc1ccccc1.C[C@H]1OC2COC(c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C37H40N4O12.C21H23N3O4.C17H21NO8/c1-21(42)48-33-30(46-19-24-14-8-4-9-15-24)31(32(34(38)44)53-37(33)49-22(2)43)52-36-27(40-41-39)29(45-18-23-12-6-3-7-13-23)28-26(50-36)20-47-35(51-28)25-16-10-5-11-17-25;1-14-18(23-24-22)20(25-12-15-8-4-2-5-9-15)19-17(27-14)13-26-21(28-19)16-10-6-3-7-11-16;1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-17,26-33,35-37H,18-20H2,1-2H3,(H2,38,44);2-11,14,17-21H,12-13H2,1H3;3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22)/t26?,27?,28-,29+,30-,31+,32?,33?,35?,36-,37-;14-,17?,18?,19-,20+,21?;12-,13+,14?,15?,17+/m110/s1
InChIKeyGWFNGPGRKGBCKQ-HRZGISGBSA-N
MW1481.53 g/mol
LogP7.56
Rot. Bonds24

About (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate

(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate (PubChem CID 158384709) has the molecular formula C75H84N8O24 and a molecular weight of 1481.53 g/mol. Its IUPAC name is (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate
PubChem CID158384709
Molecular FormulaC75H84N8O24
Molecular Weight1481.53 g/mol
Exact Mass1480.56
IUPAC Name(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate
SMILESCC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O)[C@H]1OCc1ccccc1.CC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O[C@H]2OC3COC(c4ccccc4)O[C@H]3[C@@H](OCc3ccccc3)C2N=[N+]=[N-])[C@H]1OCc1ccccc1.C[C@H]1OC2COC(c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C37H40N4O12.C21H23N3O4.C17H21NO8/c1-21(42)48-33-30(46-19-24-14-8-4-9-15-24)31(32(34(38)44)53-37(33)49-22(2)43)52-36-27(40-41-39)29(45-18-23-12-6-3-7-13-23)28-26(50-36)20-47-35(51-28)25-16-10-5-11-17-25;1-14-18(23-24-22)20(25-12-15-8-4-2-5-9-15)19-17(27-14)13-26-21(28-19)16-10-6-3-7-11-16;1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-17,26-33,35-37H,18-20H2,1-2H3,(H2,38,44);2-11,14,17-21H,12-13H2,1H3;3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22)/t26?,27?,28-,29+,30-,31+,32?,33?,35?,36-,37-;14-,17?,18?,19-,20+,21?;12-,13+,14?,15?,17+/m110/s1
InChIKeyGWFNGPGRKGBCKQ-HRZGISGBSA-N
XLogP7.56
TPSA429.12 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.53
LogP ≤ 57.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

methyl (2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetyloxy-4-phenylmethoxy-6-prop-2-enoxyoxane-2-carboxylate
CID 101119847
(6S,8S,8aR)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 174181018
[(2S,3S,5R)-2-[[(6S,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-azido-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 122532646
(6S,8aS)-7-azido-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134831994
methyl 2-[[(8R,8aR)-6-[(3R,4R)-4-acetyloxy-5-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]acetate
CID 58654849
[(2S,4S,5R)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate
CID 146027580
[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-acetyloxy-5-azido-6-methyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 11104112
(7-acetyloxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate
CID 5125864
[(2R,4aR,6S,7R,8S,8aR)-7-acetyloxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 39355168
(2R,4aR,6S,7S,8R,8aS)-7-azido-6-[[(1R,2S,3R,4R,5R)-4-azido-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11456460
[(4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] nitrate
CID 177404156
[(2R,3S,4S,5R,6R)-6-[[(4aR,6S,7R,8R,8aR)-7-azido-6-methoxy-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 10897516

Frequently Asked Questions

What is the IUPAC name of (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate?
The IUPAC name of (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate (CID 158384709) is (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate.
What is the SMILES notation for (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate?
The canonical SMILES for (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate is CC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O)[C@H]1OCc1ccccc1.CC(=O)OC1[C@H](OC(C)=O)OC(C(N)=O)[C@@H](O[C@H]2OC3COC(c4ccccc4)O[C@H]3[C@@H](OCc3ccccc3)C2N=[N+]=[N-])[C@H]1OCc1ccccc1.C[C@H]1OC2COC(c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)C1N=[N+]=[N-].
What is the InChIKey of (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate?
The InChIKey is GWFNGPGRKGBCKQ-HRZGISGBSA-N. The full InChI is InChI=1S/C37H40N4O12.C21H23N3O4.C17H21NO8/c1-21(42)48-33-30(46-19-24-14-8-4-9-15-24)31(32(34(38)44)53-37(33)49-22(2)43)52-36-27(40-41-39)29(45-18-23-12-6-3-7-13-23)28-26(50-36)20-47-35(51-28)25-16-10-5-11-17-25;1-14-18(23-24-22)20(25-12-15-8-4-2-5-9-15)19-17(27-14)13-26-21(28-19)16-10-6-3-7-11-16;1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-17,26-33,35-37H,18-20H2,1-2H3,(H2,38,44);2-11,14,17-21H,12-13H2,1H3;3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22)/t26?,27?,28-,29+,30-,31+,32?,33?,35?,36-,37-;14-,17?,18?,19-,20+,21?;12-,13+,14?,15?,17+/m110/s1.
What are the key properties of (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate?
(6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate has a molecular weight of 1481.53 g/mol, XLogP of 7.56, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,8aS)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4R,5S)-5-[[(6R,8S,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-acetyloxy-6-carbamoyl-4-phenylmethoxyoxan-3-yl] acetate;[(2S,4R,5S)-2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl] acetate is sourced from PubChem (CID 158384709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).