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113568-93-7 | Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-1-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]imino]-4-methoxy-
CAS No: 113568-93-7 Catalog No: AG00090C MDL No:
Product Description
Catalog Number:
AG00090C
Chemical Name:
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-1-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]imino]-4-methoxy-
CAS Number:
113568-93-7
Molecular Formula:
C21H23NO10
Molecular Weight:
449.4080
IUPAC Name:
16-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino-4,5-dihydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-18-one
InChI:
InChI=1S/C21H23NO10/c1-29-10-4-11-14(15-16(26)19(28)32-20(15)30-11)17-13(10)8-2-3-9(12(8)18(27)31-17)22-21(5-23,6-24)7-25/h4,15-16,19-20,23-26,28H,2-3,5-7H2,1H3
InChI Key:
FDHBXCJFVVNQKW-UHFFFAOYSA-N
SMILES:
OCC(N=C1CCc2c1c(=O)oc1c2c(OC)cc2c1C1C(O2)OC(C1O)O)(CO)CO
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.132g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
449.412g/mol
Monoisotopic Mass:
449.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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