Text Search
Structure Search

(3S,4E)-3-hydroxy-7-[(triphenylmethyl)sulfanyl]hept-4-enoic acid

(3S,4E)-3-hydroxy-7-[(triphenylmethyl)sulfanyl]hept-4-enoic acid

CAS: 180973-24-4

Formula: C26H26O3S

SMILES: O[C@@H](CC(O)=O)C=CCCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (3S,4E)-3-hydroxy-7-[(triphenylmethyl)sulfanyl]hept-4-enoic acid

InChI: InChI=1S/C26H26O3S/c27-24(20-25(28)29)18-10-11-19-30-26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-10,12-18,24,27H,11,19-20H2,(H,28,29)/b18-10+/t24-/m1/s1

Composition: C (74.61%), H (6.26%), O (11.47%), S (7.66%)

Molar Mass: 418.55

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 418.160265871
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BGUJCVRJDCZLQS-XMZCUOJSSA-N
Lipinski's Rule of Five
Molar Refractivity 125.96
Topological Polar Surface Area 57.53
Polarizability 48.22
Ring Count 3
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 180973-24-4 $236.25$236.25
Request Quote