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1422506-53-3 | Rauvotetraphylline E
CAS No: 1422506-53-3 Catalog No: AG001I24 MDL No:
Product Description
Catalog Number:
AG001I24
Chemical Name:
Rauvotetraphylline E
CAS Number:
1422506-53-3
IUPAC Name:
(15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylic acid
InChI:
InChI=1S/C20H18N2O3/c1-11-15-9-22-7-6-13-12-4-2-3-5-17(12)21-19(13)18(22)8-14(15)16(10-25-11)20(23)24/h2-7,10-11,14-15H,8-9H2,1H3,(H,23,24)/t11-,14-,15-/m0/s1
InChI Key:
UFDPRYZHVYKRKM-CQDKDKBSSA-N
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
334.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.375g/mol
Monoisotopic Mass:
334.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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