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101377-33-7 | 2,6,10,14,18,22,26-Heptaoxaheptacosane-4,12,20-triol, 1,27-bis(2-oxiranyl)-8,16,24-tris(2-oxiranylmethoxy)-
CAS No: 101377-33-7 Catalog No: AG0004BT MDL No:
Product Description
Catalog Number:
AG0004BT
Chemical Name:
2,6,10,14,18,22,26-Heptaoxaheptacosane-4,12,20-triol, 1,27-bis(2-oxiranyl)-8,16,24-tris(2-oxiranylmethoxy)-
CAS Number:
101377-33-7
Molecular Formula:
C33H58O18
Molecular Weight:
742.8028
IUPAC Name:
1-[3-[3-[3-[3-[2,3-bis(oxiran-2-ylmethoxy)propoxy]-2-hydroxypropoxy]-2-(oxiran-2-ylmethoxy)propoxy]-2-hydroxypropoxy]-2-(oxiran-2-ylmethoxy)propoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol
InChI:
InChI=1S/C33H58O18/c34-23(2-38-9-27(45-18-32-21-50-32)10-40-5-25(36)6-42-13-29-15-47-29)1-37-7-26(44-17-31-20-49-31)8-39-3-24(35)4-41-11-28(46-19-33-22-51-33)12-43-14-30-16-48-30/h23-36H,1-22H2
InChI Key:
PGPNHSXRNWRZOB-UHFFFAOYSA-N
SMILES:
OC(COCC(OCC1OC1)COCC(COCC1OC1)O)COCC(OCC1OC1)COCC(COCC(OCC1OC1)COCC1OC1)O
EC Number:
309-934-6
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
742.362g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
742.809g/mol
Monoisotopic Mass:
742.362g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
11
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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