[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate

C25H32O19 — CID 101349219

About [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate (PubChem CID 101349219) has the molecular formula C25H32O19 and a molecular weight of 636.51 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate
• PubChem CID: 101349219
• Molecular Formula: C25H32O19
• Molecular Weight: 636.51 g/mol
• Exact Mass: 636.15
• IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate
• SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@]2(COC=O)O[C@H](COC=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C25H32O19/c1-12(29)37-19-17(6-34-9-26)42-24(22(40-15(4)32)21(19)39-14(3)31)44-25(8-36-11-28)23(41-16(5)33)20(38-13(2)30)18(43-25)7-35-10-27/h9-11,17-24H,6-8H2,1-5H3/t17-,18-,19-,20-,21+,22-,23+,24-,25+/m1/s1
• InChIKey: WHGGRBGVGLCOLS-JOOPUROXSA-N
• XLogP: -2.00
• TPSA: 238.09 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.51
LogP ≤ 5	-2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate?

The IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate (CID 101349219) is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@]2(COC=O)O[C@H](COC=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC=O)[C@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate?

The InChIKey is WHGGRBGVGLCOLS-JOOPUROXSA-N. The full InChI is InChI=1S/C25H32O19/c1-12(29)37-19-17(6-34-9-26)42-24(22(40-15(4)32)21(19)39-14(3)31)44-25(8-36-11-28)23(41-16(5)33)20(38-13(2)30)18(43-25)7-35-10-27/h9-11,17-24H,6-8H2,1-5H3/t17-,18-,19-,20-,21+,22-,23+,24-,25+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate?

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate has a molecular weight of 636.51 g/mol, XLogP of -2.00, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(formyloxymethyl)oxolan-2-yl]oxy-2-(formyloxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 101349219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).