Products Categories
CAS No.: | 7497-97-4 |
---|---|
Name: | 1-acetyl-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-1H-indole |
Molecular Structure: | |
Formula: | C24H27NO11 |
Molecular Weight: | 505.478 |
Synonyms: | [6-(1-Acetylindol-3-yl)oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl acetate;NSC407310;AC1L88Y7; |
EINECS: | 231-350-4 |
Density: | 1.38 g/cm3 |
Melting Point: | 148 °C |
Boiling Point: | 588.6 °C at 760 mmHg |
Flash Point: | 309.8 °C |
PSA: | 145.66000 |
LogP: | 1.76330 |
What can I do for you?
Get Best Price
The [6-(1-Acetylindol-3-yl)oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl acetate with CAS registry number of 7497-97-4 is also known as 1-Acetyl-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-1H-indole. The IUPAC name and product name are the same. Its EINECS registry number is 231-350-4. In addition, the formula is C24H27NO11 and the molecular weight is 505.47.
Physical properties about [6-(1-Acetylindol-3-yl)oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl acetate are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.42; (6)ACD/BCF (pH 7.4): 92.42; (7)ACD/KOC (pH 5.5): 888.63; (8)ACD/KOC (pH 7.4): 888.63; (9)#H bond acceptors: 12; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 121.13 cm3; (13)Molar Volume: 364.6 cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.38 g/cm3; (16)Flash Point: 309.8 °C; (17)Enthalpy of Vaporization: 87.86 kJ/mol; (18)Boiling Point: 588.6 °C at 760 mmHg; (19)Vapour Pressure: 7.83E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(n3cc(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)c2ccccc23)C
2. InChI: InChI=1/C24H27NO11/c1-12(26)25-10-19(17-8-6-7-9-18(17)25)35-24-23(34-16(5)30)22(33-15(4)29)21(32-14(3)28)20(36-24)11-31-13(2)27/h6-10,20-24H,11H2,1-5H3/t20-,21-,22+,23-,24-/m1/s1
3. InChIKey: FCZMTVYNFKUPIF-GNADVCDUBC
4. Std. InChI: InChI=1S/C24H27NO11/c1-12(26)25-10-19(17-8-6-7-9-18(17)25)35-24-23(34-16(5)30)22(33-15(4)29)21(32-14(3)28)20(36-24)11-31-13(2)27/h6-10,20-24H,11H2,1-5H3/t20-,21-,22+,23-,24-/m1/s1
5. Std. InChIKey: FCZMTVYNFKUPIF-GNADVCDUSA-N