loader
Please Wait
Applying Filters...

Seqens Seqens

X

Technical details about Hydroxypropyl Cellulose API, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
Also known as:
Molecular Formula
C36H70O19
Molecular Weight
806.9  g/mol
InChI Key
DFJVHKAPIXJTSC-VAPIWYFSSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[[(2R,3R,4S,5R)-3,4,5-tris(2-hydroxypropoxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol
2.1.2 InChI
InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36?/m1/s1
2.1.3 InChI Key
DFJVHKAPIXJTSC-VAPIWYFSSA-N
2.1.4 Canonical SMILES
CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O
2.1.5 Isomeric SMILES
CC(COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC(C)O)OCC(C)O)OCC(C)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O
2.2 Create Date
2013-05-09
3 Chemical and Physical Properties
Molecular Weight 806.9 g/mol
Molecular Formula C36H70O19
XLogP3-3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count28
Exact Mass806.45113000 g/mol
Monoisotopic Mass806.45113000 g/mol
Topological Polar Surface Area263 Ų
Heavy Atom Count55
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Post Enquiry
POST ENQUIRY