Home Carbonyls (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(9H-xanthen-9-ylsulfanyl)propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(9H-xanthen-9-ylsulfanyl)propanoic acid

CAS No.:
186829-25-4
Catalog Number:
AG00ACON
Molecular Formula:
C31H25NO5S
Molecular Weight:
523.5989
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (HPLC)
1 week
United States
$140
- +
1g
≥ 98% (HPLC)
1 week
United States
$243
- +
5g
≥ 98% (HPLC)
1 week
United States
$988
- +
Product Description
Catalog Number:
AG00ACON
Chemical Name:
(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(9H-xanthen-9-ylsulfanyl)propanoic acid
CAS Number:
186829-25-4
Molecular Formula:
C31H25NO5S
Molecular Weight:
523.5989
MDL Number:
MFCD01862337
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C31H25NO5S/c33-30(34)26(18-38-29-23-13-5-7-15-27(23)37-28-16-8-6-14-24(28)29)32-31(35)36-17-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,29H,17-18H2,(H,32,35)(H,33,34)/t26-/m0/s1
InChI Key:
XTSQGWFHHHZCOH-SANMLTNESA-N
SMILES:
O=C(N[C@H](C(=O)O)CSC1c2ccccc2Oc2c1cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
795  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
523.145g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
523.603g/mol
Monoisotopic Mass:
523.145g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Properties