Home Other Building Blocks Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-

Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-

CAS No.:
79411-15-7
Catalog Number:
AG00G2BN
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00G2BN
Chemical Name:
Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-
CAS Number:
79411-15-7
MDL Number:
MFCD01939342
IUPAC Name:
18-amino-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
InChI:
InChI=1S/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54)
InChI Key:
BLKJKIJFNJAQIZ-UHFFFAOYSA-N
Properties
Complexity:
1450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
797.344g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
797.816g/mol
Monoisotopic Mass:
797.344g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
365A^2
Undefined Atom Stereocenter Count:
15  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6  
Properties