Hepta-O-acetylrutinose

• CAS: 29202-64-0
• Catalog Number: ACM29202640-1
• Category: Main Products
• Molecular Weight: 620.57
• Molecular Formula: C26H36O17
• Synonyms: Rutinose peracetate
• Melting Point: 166 - 170 °C
• Appearance: Powder

Custom Q&A

What is the molecular formula of hepta-O-acetylrutinose?

The molecular formula of hepta-O-acetylrutinose is C26H36O17.

What are the synonyms of hepta-O-acetylrutinose?

The synonyms of hepta-O-acetylrutinose are Heptaacetylrutinose and RUTINOSEHEPTAACETATE.

What is the molecular weight of hepta-O-acetylrutinose?

The molecular weight of hepta-O-acetylrutinose is 620.6 g/mol.

When was hepta-O-acetylrutinose created and modified?

Hepta-O-acetylrutinose was created on 2007-12-05 and last modified on 2023-10-21.

What is the IUPAC Name of hepta-O-acetylrutinose?

The IUPAC name of hepta-O-acetylrutinose is [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-3-yl] acetate.

What is the InChI of hepta-O-acetylrutinose?

The InChI of hepta-O-acetylrutinose is InChI=1S/C26H36O17/c1-11-21(39-14(4)30)24(42-17(7)33)25(43-18(8)34)26(36-11)35-10-20(38-13(3)29)23(41-16(6)32)22(40-15(5)31)19(9-27)37-12(2)28/h9,11,19-26H,10H2,1-8H3/t11-,19-,20+,21-,22+,23+,24+,25+,26+/m0/s1.

What is the InChIKey of hepta-O-acetylrutinose?

The InChIKey of hepta-O-acetylrutinose is OKQBJGPZGUMMEZ-BLPUGYGOSA-N.

What is the Canonical SMILES of hepta-O-acetylrutinose?

The Canonical SMILES of hepta-O-acetylrutinose is CC1C(C(C(C(O1)OCC(C(C(C(C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.

What is the CAS number of hepta-O-acetylrutinose?

The CAS number of hepta-O-acetylrutinose is 55325-25-2.

What are the computed properties of hepta-O-acetylrutinose?

The computed properties of hepta-O-acetylrutinose include a molecular weight of 620.6 g/mol, XLogP3-AA value of -0.5, a hydrogen bond donor count of 0, a hydrogen bond acceptor count of 17, a rotatable bond count of 21, an exact mass of 620.19524968 g/mol, a topological polar surface area of 220Ų, a heavy atom count of 43, a formal charge of 0, a complexity of 1050, a defined atom stereocenter count of 9, an undefined atom stereocenter count of 0, a defined bond stereocenter count of 0, and an undefined bond stereocenter count of 0.