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86762-35-8 | 5-Pyrimidineacetaldehyde,a-[(R)-1-formyl-2-hydroxyethoxy]-1,2,3,4-tetrahydro-2,4-dioxo-,(aS)- (9CI)
CAS No: 86762-35-8 Catalog No: AG004N81 MDL No:
Product Description
Catalog Number:
AG004N81
Chemical Name:
5-Pyrimidineacetaldehyde,a-[(R)-1-formyl-2-hydroxyethoxy]-1,2,3,4-tetrahydro-2,4-dioxo-,(aS)- (9CI)
CAS Number:
86762-35-8
Molecular Formula:
C11H12N2O8
Molecular Weight:
300.2216
IUPAC Name:
(2R)-2-[(1S)-1-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethoxy]-3-hydroxypropanal
InChI:
InChI=1S/C9H10N2O6/c12-2-5(3-13)17-7(4-14)6-1-10-9(16)11-8(6)15/h1-2,4-5,7,13H,3H2,(H2,10,11,15,16)/t5-,7+/m0/s1
InChI Key:
PWWIIFIZPARHSJ-CAHLUQPWSA-N
SMILES:
OC[C@H]1O[C@@]([C@@]([C@@H]1O)(O)C=O)(C=O)c1c[nH]c(=O)[nH]c1=O
NSC Number:
291643
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.187g/mol
Monoisotopic Mass:
242.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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