1,3,6-Tri-O-galloyl-b-D-glucose

• CAS: 18483-17-5
• Catalog Number: ACM18483175
• Category: Other Products
• Molecular Weight: 636.47
• Molecular Formula: C₂₇H₂₄O₁₈
• Synonyms: 1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE;B-D-GLUCOPYRANOSE,1,3,6-TRIS(3,4,5-TRIHYDROXYBENZOATE);GALLOYL-B-D-GLUCOSE, 1,3,6-TRI-O-(SH);1,3,6-Tri-O-galloyl-beta-D-glucopyranose;1,3,6-Tri-O-galloyl-beta-D-glucose;beta-D-Glucopyranose 1,3,6-trigallate;NSC 69861;1,3,6-Tri-O-galloyl glucose
• Melting Point: 167°C
• Density: 1.98

Custom Q&A

What is the molecular formula of 1,3,6-Tri-O-galloyl-b-D-glucose?

The molecular formula is C27H24O18.

What is the molecular weight of 1,3,6-Tri-O-galloyl-b-D-glucose?

The molecular weight is 636.5 g/mol.

What is the IUPAC name of 1,3,6-Tri-O-galloyl-b-D-glucose?

The IUPAC name is [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.

What is the InChI of 1,3,6-Tri-O-galloyl-b-D-glucose?

The InChI is InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1.

What is the Canonical SMILES of 1,3,6-Tri-O-galloyl-b-D-glucose?

The Canonical SMILES is C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O.

What is the CAS number of 1,3,6-Tri-O-galloyl-b-D-glucose?

The CAS number is 18483-17-5.

What is the XLogP3-AA value of 1,3,6-Tri-O-galloyl-b-D-glucose?

The XLogP3-AA value is 0.4.

How many hydrogen bond donor counts does 1,3,6-Tri-O-galloyl-b-D-glucose have?

It has 11 hydrogen bond donor counts.

What is the topological polar surface area of 1,3,6-Tri-O-galloyl-b-D-glucose?

The topological polar surface area is 311 Å2.