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88720-91-6 | 5,7-dihydroxy-2-methyl-6a,7,8,9,10,10a-hexahydro-4h,6h-pyrano[3',2':6,7]chromeno[3,2-c]pyridine-4,6-dione
CAS No: 88720-91-6 Catalog No: AG0045CR MDL No:
Product Description
Catalog Number:
AG0045CR
Chemical Name:
5,7-dihydroxy-2-methyl-6a,7,8,9,10,10a-hexahydro-4h,6h-pyrano[3',2':6,7]chromeno[3,2-c]pyridine-4,6-dione
CAS Number:
88720-91-6
Molecular Formula:
C16H15NO6
Molecular Weight:
317.2934
IUPAC Name:
7,11-dihydroxy-15-methyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione
InChI:
InChI=1S/C16H15NO6/c1-6-4-7(18)11-9(22-6)5-10-12(14(11)19)15(20)13-8(23-10)2-3-17-16(13)21/h4-5,8,13,16-17,19,21H,2-3H2,1H3
InChI Key:
KCJLGLFSWBXJNM-UHFFFAOYSA-N
SMILES:
OC1NCCC2C1C(=O)c1c(O2)cc2c(c1O)c(=O)cc(o2)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.297g/mol
Monoisotopic Mass:
317.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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