[(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate

C48H50O16 — CID 102031518

About [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate (PubChem CID 102031518) has the molecular formula C48H50O16 and a molecular weight of 882.91 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate
• PubChem CID: 102031518
• Molecular Formula: C48H50O16
• Molecular Weight: 882.91 g/mol
• Exact Mass: 882.31
• IUPAC Name: [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate
• SMILES: CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C48H50O16/c1-27(49)54-25-37-40(58-28(2)50)42(59-29(3)51)44(64-48(52)57-24-36-34-21-13-11-19-32(34)33-20-12-14-22-35(33)36)47(61-37)63-43-41(55-23-30-15-7-5-8-16-30)39-38(60-46(43)53-4)26-56-45(62-39)31-17-9-6-10-18-31/h5-22,36-47H,23-26H2,1-4H3/t37-,38-,39-,40-,41+,42+,43-,44-,45?,46+,47+/m1/s1
• InChIKey: ZDBKOLGOMUJUTK-MCHLAQBZSA-N
• XLogP: 5.93
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.91
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate (CID 102031518) is [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate is CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate?

The InChIKey is ZDBKOLGOMUJUTK-MCHLAQBZSA-N. The full InChI is InChI=1S/C48H50O16/c1-27(49)54-25-37-40(58-28(2)50)42(59-29(3)51)44(64-48(52)57-24-36-34-21-13-11-19-32(34)33-20-12-14-22-35(33)36)47(61-37)63-43-41(55-23-30-15-7-5-8-16-30)39-38(60-46(43)53-4)26-56-45(62-39)31-17-9-6-10-18-31/h5-22,36-47H,23-26H2,1-4H3/t37-,38-,39-,40-,41+,42+,43-,44-,45?,46+,47+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate?

[(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate has a molecular weight of 882.91 g/mol, XLogP of 5.93, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 102031518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).