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1990-77-8 | Phenol, 4,4'-[(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2,6-dimethoxy-, diacetate, rel- (9CI)
CAS No: 1990-77-8 Catalog No: AG002BVM MDL No:MFCD20260483
Product Description
Catalog Number:
AG002BVM
Chemical Name:
Phenol, 4,4'-[(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2,6-dimethoxy-, diacetate, rel- (9CI)
CAS Number:
1990-77-8
Molecular Formula:
C26H34O12
Molecular Weight:
538.5410
MDL Number:
MFCD20260483
IUPAC Name:
[4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenyl] acetate
InChI:
InChI=1S/C26H30O10/c1-13(27)35-25-19(29-3)7-15(8-20(25)30-4)23-17-11-34-24(18(17)12-33-23)16-9-21(31-5)26(36-14(2)28)22(10-16)32-6/h7-10,17-18,23-24H,11-12H2,1-6H3/t17-,18-,23+,24+/m0/s1
InChI Key:
FEDJEJQAGQWOHV-XZUXRINTSA-N
SMILES:
CC(=O)O.CC(=O)O.COc1cc(cc(c1O)OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(c(c1)OC)O
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
502.184g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.516g/mol
Monoisotopic Mass:
502.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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