(3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C35H38O11 — CID 102255236

About (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

(3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 102255236) has the molecular formula C35H38O11 and a molecular weight of 634.68 g/mol. Its IUPAC name is (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

• Compound Name: (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
• PubChem CID: 102255236
• Molecular Formula: C35H38O11
• Molecular Weight: 634.68 g/mol
• Exact Mass: 634.24
• IUPAC Name: (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
• SMILES: CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H]2OC(=O)O[C@H]2[C@H]1OCc1ccccc1
• InChI: InChI=1S/C35H38O11/c1-21-26-29(46-35(36)45-26)30(39-19-23-14-8-4-9-15-23)34(41-21)44-31-28(38-18-22-12-6-3-7-13-22)27-25(42-33(31)37-2)20-40-32(43-27)24-16-10-5-11-17-24/h3-17,21,25-34H,18-20H2,1-2H3/t21-,25+,26-,27+,28-,29+,30+,31-,32?,33-,34-/m0/s1
• InChIKey: GZZYDKBDIVUUQV-CZRBKMRTSA-N
• XLogP: 4.68
• TPSA: 109.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.68
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The IUPAC name of (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 102255236) is (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

What is the SMILES notation for (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The canonical SMILES for (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H]2OC(=O)O[C@H]2[C@H]1OCc1ccccc1.

What is the InChIKey of (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The InChIKey is GZZYDKBDIVUUQV-CZRBKMRTSA-N. The full InChI is InChI=1S/C35H38O11/c1-21-26-29(46-35(36)45-26)30(39-19-23-14-8-4-9-15-23)34(41-21)44-31-28(38-18-22-12-6-3-7-13-22)27-25(42-33(31)37-2)20-40-32(43-27)24-16-10-5-11-17-24/h3-17,21,25-34H,18-20H2,1-2H3/t21-,25+,26-,27+,28-,29+,30+,31-,32?,33-,34-/m0/s1.

What are the key properties of (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

(3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 634.68 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,4S,6S,7R,7aR)-6-[[(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4-methyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 102255236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).