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Cas Database |
| Name |
α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI) |
EINECS | N/A |
| CAS No. | 10028-44-1 | Density | 1.28 g/cm3 |
| PSA | 123.66000 | LogP | 4.07820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C33H34O10 | Boiling Point | 633.3 °C at 760 mmHg |
| Molecular Weight | 590.627 | Flash Point | 262.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glucopyranose,6-O-trityl-, tetraacetate, a-D- (8CI);NSC 52915;1,2,3,4-tetra-O-acetyl-6-O-tritylhexopyranose;[4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate; |
Article Data | 3 |
α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI) Specification
The α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI), with the CAS registry number 10028-44-1, has the systematic name of 1,2,3,4-tetra-O-acetyl-6-O-tritylhexopyranose. It belongs to the following product categories: Sugars, Carbohydrates & Glucosides; Carbohydrates. And the molecular formula of the chemical is C33H34O10.
The characteristics of α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI) are as followings: (1)ACD/LogP: 7.77; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 123.66 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 154.4 cm3; (9)Molar Volume: 460.6 cm3; (10)Polarizability: 61.2×10-24cm3; (11)Surface Tension: 54.5 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 262.6 °C; (14)Enthalpy of Vaporization: 93.62 kJ/mol; (15)Boiling Point: 633.3 °C at 760 mmHg; (16)Vapour Pressure: 6.08E-16 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)COC(c2ccccc2)(c3ccccc3)c4ccccc4)C
(2)InChI: InChI=1/C33H34O10/c1-21(34)39-29-28(43-32(42-24(4)37)31(41-23(3)36)30(29)40-22(2)35)20-38-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,28-32H,20H2,1-4H3
(3)InChIKey: GTJGUFOLNHYRQE-UHFFFAOYAM
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