[(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate

C25H34O17 — CID 67938751

About [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate

[(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate (PubChem CID 67938751) has the molecular formula C25H34O17 and a molecular weight of 606.53 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• PubChem CID: 67938751
• Molecular Formula: C25H34O17
• Molecular Weight: 606.53 g/mol
• Exact Mass: 606.18
• IUPAC Name: [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]2(O)C(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C25H34O17/c1-10(26)22(33)18(42-25(36,13(4)29)24(35,12(3)28)23(22,34)11(2)27)9-38-21-20(40-16(7)32)19(39-15(6)31)17(41-21)8-37-14(5)30/h17-21,33-36H,8-9H2,1-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+/m1/s1
• InChIKey: IGYNJHSQOQPWJL-UWSKNNCESA-N
• XLogP: -3.21
• TPSA: 255.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.53
LogP ≤ 5	-3.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate (CID 67938751) is [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]2(O)C(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The InChIKey is IGYNJHSQOQPWJL-UWSKNNCESA-N. The full InChI is InChI=1S/C25H34O17/c1-10(26)22(33)18(42-25(36,13(4)29)24(35,12(3)28)23(22,34)11(2)27)9-38-21-20(40-16(7)32)19(39-15(6)31)17(41-21)8-37-14(5)30/h17-21,33-36H,8-9H2,1-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+/m1/s1.

What are the key properties of [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

[(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate has a molecular weight of 606.53 g/mol, XLogP of -3.21, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate is sourced from PubChem (CID 67938751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).