ionz

CAS Number 9004-65-3
Catalog Number io-406805
Molecular Weight 1261.4000
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.COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC

Size	QTY	Notes
			Add

No description available for this item

1	hydroxypropylmethylcellulose
2	(Hydroxypropyl)methyl cellulose
3	HPMC
4	HYDROXY PROPYL METHYL CELLULOSE
5	AKOS040744263

Molecular Formula	C56H108O30
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.COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
Isomeric SMILES	CC(COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O.COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)OC)COC)OC)OC)OC
Molecular Weight	1261.4000
InChIKey	PUSNGFYSTWMJSK-GSZQVNRLSA-N
InChI	InChI=1S/C36H70O19.C20H38O11/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;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1
XLogP	0.0000
ExactMass	1260.6900
MonoisotopicMass	1260.6900
TPSA	365.0000
Complexity	1480.0000
Charge	0.0000
HBondDonorCount	8
HBondAcceptorCount	30
RotatableBondCount	40
HeavyAtomCount	86
IsotopeAtomCount	0
AtomStereoCount	28
DefinedAtomStereoCount	20
UndefinedAtomStereoCount	8
BondStereoCount	0
DefinedBondStereoCount	0
UndefinedBondStereoCount	0
CovalentUnitCount	2
PatentCount	40132
PatentFamilyCount	12707
LiteratureCount	2536