Text Search
Structure Search

(3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-6-methylheptanoic acid

(3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-6-methylheptanoic acid

CAS: 58521-49-6

Formula: C13H25NO5

SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(O)=O

IUPAC: (3S,4S)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-6-methylheptanoic acid

InChI: InChI=1S/C13H25NO5/c1-8(2)6-9(10(15)7-11(16)17)14-12(18)19-13(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,14,18)(H,16,17)/t9-,10-/m0/s1

Composition: C (56.71%), H (9.15%), N (5.09%), O (29.05%)

Molar Mass: 275.345

Atom Count: 44

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 275.173272909
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey KJIQRHBVNGRPCO-UWVGGRQHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.63
Topological Polar Surface Area 95.86
Polarizability 27.79
Ring Count 0
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 58521-49-6 $166.75-$4,118.15$166.75$312.80$914.25$4,118.15
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 58521-49-6 $8.28-$56.93$8.28$16.56$56.93
Request Quote