[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

C26H36O18 — CID 69378798

About [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 69378798) has the molecular formula C26H36O18 and a molecular weight of 636.56 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 69378798
• Molecular Formula: C26H36O18
• Molecular Weight: 636.56 g/mol
• Exact Mass: 636.19
• IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@H]2O[C@H](C(O)C(C)=O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@@H]2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C26H36O18/c1-9(27)17(34)22-26(37,11(3)29)25(36,10(2)28)21(35)24(43-22)44-23-20(41-15(7)33)19(40-14(6)32)18(39-13(5)31)16(42-23)8-38-12(4)30/h16-24,34-37H,8H2,1-7H3/t16-,17?,18-,19+,20+,21-,22-,23+,24-,25-,26-/m1/s1
• InChIKey: ALVBKFRCKDPQSN-YPOGRZCRSA-N
• XLogP: -3.24
• TPSA: 265.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.56
LogP ≤ 5	-3.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (CID 69378798) is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](O[C@H]2O[C@H](C(O)C(C)=O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[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,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The InChIKey is ALVBKFRCKDPQSN-YPOGRZCRSA-N. The full InChI is InChI=1S/C26H36O18/c1-9(27)17(34)22-26(37,11(3)29)25(36,10(2)28)21(35)24(43-22)44-23-20(41-15(7)33)19(40-14(6)32)18(39-13(5)31)16(42-23)8-38-12(4)30/h16-24,34-37H,8H2,1-7H3/t16-,17?,18-,19+,20+,21-,22-,23+,24-,25-,26-/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 636.56 g/mol, XLogP of -3.24, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-4,5-diacetyl-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 69378798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).