[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate

C30H40O15 — CID 59022374

About [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate (PubChem CID 59022374) has the molecular formula C30H40O15 and a molecular weight of 640.64 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate
• PubChem CID: 59022374
• Molecular Formula: C30H40O15
• Molecular Weight: 640.64 g/mol
• Exact Mass: 640.24
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](OC[C@@H]2OC(c3ccccc3)O[C@H]([C@H]3COC(C)(C)O3)[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C30H40O15/c1-15(31)36-13-21-25(39-16(2)32)26(40-17(3)33)27(41-18(4)34)29(43-21)37-12-20-23(35)24(22-14-38-30(5,6)45-22)44-28(42-20)19-10-8-7-9-11-19/h7-11,20-29,35H,12-14H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28?,29+/m0/s1
• InChIKey: CLVMOBPOQUCQJU-RQNLVCFISA-N
• XLogP: 1.08
• TPSA: 180.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.64
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

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,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate (CID 59022374) is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OC[C@@H]2OC(c3ccccc3)O[C@H]([C@H]3COC(C)(C)O3)[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate?

The InChIKey is CLVMOBPOQUCQJU-RQNLVCFISA-N. The full InChI is InChI=1S/C30H40O15/c1-15(31)36-13-21-25(39-16(2)32)26(40-17(3)33)27(41-18(4)34)29(43-21)37-12-20-23(35)24(22-14-38-30(5,6)45-22)44-28(42-20)19-10-8-7-9-11-19/h7-11,20-29,35H,12-14H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28?,29+/m0/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate?

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate has a molecular weight of 640.64 g/mol, XLogP of 1.08, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4S,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 59022374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).