200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 27646-47-5
27646-47-5 | 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 4-(acetyloxy)-10-[(R)-(acetyloxy)[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]methyl]-5-[(1S)-1-(acetyloxy)heptyl]-5,9,10,11-tetrahydro-, (4S,5R,10R)-rel-(-)- (9CI)
CAS No: 27646-47-5 Catalog No: AG002UBT MDL No:
Product Description
Catalog Number:
AG002UBT
Chemical Name:
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 4-(acetyloxy)-10-[(R)-(acetyloxy)[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]methyl]-5-[(1S)-1-(acetyloxy)heptyl]-5,9,10,11-tetrahydro-, (4S,5R,10R)-rel-(-)- (9CI)
CAS Number:
27646-47-5
Molecular Formula:
C32H36O14
Molecular Weight:
644.6198
IUPAC Name:
[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate
InChI:
InChI=1S/C32H36O14/c1-5-6-7-8-10-21(41-15(2)33)26-24-19(29(37)45-31(24)39)13-18(27(42-16(3)34)22-11-9-12-23(36)44-22)14-20-25(28(26)43-17(4)35)32(40)46-30(20)38/h9,12,18,21-22,26-28H,5-8,10-11,13-14H2,1-4H3/t18?,21-,22?,26?,27+,28+/m1/s1
InChI Key:
RLPCKDQGNOVADL-XZJZCARSSA-N
SMILES:
CCCCCC[C@@H]([C@H]1C2=C(C[C@H](CC3=C([C@H]1OC(=O)C)C(=O)OC3=O)[C@H]([C@H]1CC=CC(=O)O1)OC(=O)C)C(=O)OC2=O)OC(=O)C
Properties
Complexity:
1430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
644.211g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
644.626g/mol
Monoisotopic Mass:
644.211g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.