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Home Carbonyls b-D-Allofuranuronic acid,5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-

b-D-Allofuranuronic acid,5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-

CAS No.:
19396-06-6
Catalog Number:
AG00I31H
Molecular Formula:
C17H25N5O13
Molecular Weight:
507.4061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
~70%
In Stock USA
United States
$158
- +
5g
~70%
In Stock USA
United States
$505
- +
Product Description
Catalog Number:
AG00I31H
Chemical Name:
b-D-Allofuranuronic acid,5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-
CAS Number:
19396-06-6
Molecular Formula:
C17H25N5O13
Molecular Weight:
507.4061
MDL Number:
MFCD01674468
IUPAC Name:
(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid
InChI:
InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
InChI Key:
YFZNSPMAOIVQRP-YVKGXWRCSA-N
SMILES:
OCc1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N
EC Number:
243-024-9
UNII:
UP481S7UOD
Properties
Complexity:
898  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
507.145g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
507.409g/mol
Monoisotopic Mass:
507.145g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
305A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.1  
Literature
Title Journal
Potent in vivo antifungal activity against powdery mildews of pregnane glycosides from the roots of Cynanchum wilfordii. Journal of agricultural and food chemistry 20111123
Synthesis and biological evaluation of dipeptidyl and tripeptidyl polyoxin and nikkomycin analogues as anticandidal prodrugs. Journal of medicinal chemistry 19910101
Cilofungin (LY121019) inhibits Candida albicans (1-3)-beta-D-glucan synthase activity. Antimicrobial agents and chemotherapy 19881201
Properties