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100551-69-7 | Thiourea, N-(3,3-diethoxypropyl)-N'-β-D-ribofuranosyl-
CAS No: 100551-69-7 Catalog No: AG0002B1 MDL No:
Product Description
Catalog Number:
AG0002B1
Chemical Name:
Thiourea, N-(3,3-diethoxypropyl)-N'-β-D-ribofuranosyl-
CAS Number:
100551-69-7
Molecular Formula:
C13H26N2O6S
Molecular Weight:
338.4203
IUPAC Name:
1-(3,3-diethoxypropyl)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiourea
InChI:
InChI=1S/C13H26N2O6S/c1-3-19-9(20-4-2)5-6-14-13(22)15-12-11(18)10(17)8(7-16)21-12/h8-12,16-18H,3-7H2,1-2H3,(H2,14,15,22)/t8-,10-,11-,12-/m1/s1
InChI Key:
ANSCRDYCKKUPII-HJQYOEGKSA-N
SMILES:
CCOC(OCC)CCNC(=S)N[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
338.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
338.419g/mol
Monoisotopic Mass:
338.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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