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93376-06-8 | (1r,4as,7as)-1,5'-dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1h,5'h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
CAS No: 93376-06-8 Catalog No: AG006G7C MDL No:
Product Description
Catalog Number:
AG006G7C
Chemical Name:
(1r,4as,7as)-1,5'-dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1h,5'h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
CAS Number:
93376-06-8
Molecular Formula:
C15H18O7
Molecular Weight:
310.2992
IUPAC Name:
(1R,4aS,7aS)-1,2'-dihydroxy-3'-(1-hydroxyethyl)-2'-methylspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid
InChI:
InChI=1S/C15H18O7/c1-7(16)10-5-15(22-14(10,2)20)4-3-8-9(12(17)18)6-21-13(19)11(8)15/h3-8,11,13,16,19-20H,1-2H3,(H,17,18)/t7?,8-,11-,13-,14?,15?/m1/s1
InChI Key:
LXUCNZNWQBWWDK-BCOCBBQUSA-N
SMILES:
O[C@@H]1OC=C([C@@H]2[C@H]1C1(C=C2)C=C(C(O1)(C)O)C(O)C)C(=O)O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
310.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.302g/mol
Monoisotopic Mass:
310.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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