Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

7-Xylosyl-10-deacetyltaxol

Related Products

Hot Products

Name

7-Xylosyl-10-deacetyltaxol

EINECS N/A
CAS No. 90332-63-1 Density 1.46 g/cm3
PSA 274.14000 LogP 2.01910
Solubility N/A Melting Point N/A
Formula C50H57NO17 Boiling Point 1068.4 °C at 760 mmHg
Molecular Weight 943.999 Flash Point 599.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 90332-63-1 (7-Xylosyl-10-deacetyltaxol) Hazard Symbols N/A
Synonyms

Benzenepropanoicacid, b-(benzoylamino)-a-hydroxy-,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(b-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, [2aR-[2aa,4b,4ab,6b,9a(aR*,bS*),11a,12a,12aa,12ba]]-;10-Deacetyl-7-xylosylpaclitaxel;10-Deacetyl-7-xylosyltaxol;10-Deacetylpaclitaxel 7-xyloside;10-Deacetyltaxol 7-xyloside;7-Xylosyl-10-deacetyltaxol;7b-Xylosyl-10-deacetyltaxol;

Article Data 2

7-Xylosyl-10-deacetyltaxol Specification

The systematic name of 7-Xylosyl-10-deacetyltaxol is (2α,5β,7β,10β,13α)-4-(acetyloxy)-1,10-dihydroxy-13-({(2R)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-7-(L-xylopyranosyloxy)-5,20-epoxytax-11-en-2-yl benzoate. With the CAS registry number 90332-63-1, it is also named as 10-Deacetylpaclitaxel 7-xyloside. The product's molecular formula is C50H57NO17 and its molecular weight is 943.98. 

The other characteristics of 7-Xylosyl-10-deacetyltaxol can be summarized as: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 7.18; (4)ACD/LogD (pH 7.4): 7.18; (5)ACD/BCF (pH 5.5): 167161.2; (6)ACD/BCF (pH 7.4): 167130.73; (7)ACD/KOC (pH 5.5): 190554.53; (8)ACD/KOC (pH 7.4): 190519.81; (9)H bond acceptors: 18; (10)H bond donors: 7; (11)Freely Rotating Bonds: 20; (12)Polar Surface Area: 199.35 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 237.26 cm3; (15)Molar Volume: 642.5 cm3; (16)Polarizability: 94.05×10-24cm3; (17)Surface Tension: 77.3 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 599.9 °C; (20)Enthalpy of Vaporization: 164.02 kJ/mol; (21)Boiling Point: 1068.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1ccccc1)NC(c2ccccc2)[C@@H](O)C(=O)O[C@@H]7C(=C6/[C@@H](O)C(=O)[C@@]4([C@@H](OC3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]8OC[C@@]8(OC(=O)C)[C@H]4[C@H](OC(=O)c5ccccc5)[C@@](O)(C6(C)C)C7)C)/C
(2)InChI:InChI=1/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31-,32-,33+,35,36+,37+,38+,39-,40-,42-,46,48+,49-,50+/m0/s1

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 90332-63-1