[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate

C66H64O23 — CID 138719016

About [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate (PubChem CID 138719016) has the molecular formula C66H64O23 and a molecular weight of 1225.21 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• PubChem CID: 138719016
• Molecular Formula: C66H64O23
• Molecular Weight: 1225.21 g/mol
• Exact Mass: 1224.38
• IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4cc(OCc5ccccc5)c(OCc5ccccc5)c(OCc5ccccc5)c4)oc4cc(OCc5ccccc5)cc(O)c4c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C66H64O23/c1-37(67)75-35-53-60(82-39(3)69)63(84-41(5)71)65(87-53)80-36-54-59(81-38(2)68)62(83-40(4)70)64(85-42(6)72)66(88-54)89-61-56(74)55-49(73)29-48(76-31-43-19-11-7-12-20-43)30-50(55)86-57(61)47-27-51(77-32-44-21-13-8-14-22-44)58(79-34-46-25-17-10-18-26-46)52(28-47)78-33-45-23-15-9-16-24-45/h7-30,53-54,59-60,62-66,73H,31-36H2,1-6H3/t53-,54-,59+,60-,62+,63-,64-,65-,66+/m1/s1
• InChIKey: GBGCFIAQNAKMKX-UPJUCEJCSA-N
• XLogP: 8.55
• TPSA: 282.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.21
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate (CID 138719016) is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4cc(OCc5ccccc5)c(OCc5ccccc5)c(OCc5ccccc5)c4)oc4cc(OCc5ccccc5)cc(O)c4c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The InChIKey is GBGCFIAQNAKMKX-UPJUCEJCSA-N. The full InChI is InChI=1S/C66H64O23/c1-37(67)75-35-53-60(82-39(3)69)63(84-41(5)71)65(87-53)80-36-54-59(81-38(2)68)62(83-40(4)70)64(85-42(6)72)66(88-54)89-61-56(74)55-49(73)29-48(76-31-43-19-11-7-12-20-43)30-50(55)86-57(61)47-27-51(77-32-44-21-13-8-14-22-44)58(79-34-46-25-17-10-18-26-46)52(28-47)78-33-45-23-15-9-16-24-45/h7-30,53-54,59-60,62-66,73H,31-36H2,1-6H3/t53-,54-,59+,60-,62+,63-,64-,65-,66+/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate has a molecular weight of 1225.21 g/mol, XLogP of 8.55, 25 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-hydroxy-4-oxo-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate is sourced from PubChem (CID 138719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).