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101490-85-1 | 3H-Phenoxazin-3-one, 7-(β-D-glucopyranosyloxy)-
CAS No: 101490-85-1 Catalog No: AG0004LH MDL No:MFCD00037662
Product Description
Catalog Number:
AG0004LH
Chemical Name:
3H-Phenoxazin-3-one, 7-(β-D-glucopyranosyloxy)-
CAS Number:
101490-85-1
Molecular Formula:
C18H17NO8
Molecular Weight:
375.3295
MDL Number:
MFCD00037662
IUPAC Name:
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxazin-3-one
InChI:
InChI=1S/C18H17NO8/c20-7-14-15(22)16(23)17(24)18(27-14)25-9-2-4-11-13(6-9)26-12-5-8(21)1-3-10(12)19-11/h1-6,14-18,20,22-24H,7H2/t14-,15-,16+,17-,18-/m1/s1
InChI Key:
QULZFZMEBOATFS-UYTYNIKBSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc2c(n3)ccc(=O)c2)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
375.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
375.333g/mol
Monoisotopic Mass:
375.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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