Text Search
Structure Search

2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl 3-[(3-{[2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl]oxy}-3-oxopropyl)disulfanyl]propanoate

2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl 3-[(3-{[2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl]oxy}-3-oxopropyl)disulfanyl]propanoate

CAS: 81069-02-5

Formula: C14H14N2Na2O14S4

SMILES: [Na]OS(=O)(=O)C1CC(=O)N(OC(=O)CCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O[Na])C1=O

IUPAC: 2,5-dioxo-3-[(sodiooxy)sulfonyl]pyrrolidin-1-yl 3-{[3-({2,5-dioxo-3-[(sodiooxy)sulfonyl]pyrrolidin-1-yl}oxy)-3-oxopropyl]disulfanyl}propanoate

InChI: InChI=1/C14H16N2O14S4.2Na/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28;;/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

Composition: C (27.63%), H (2.32%), N (4.60%), Na (7.56%), O (36.81%), S (21.08%)

Molar Mass: 608.49

Atom Count: 50

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 607.91232639
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey XRWWBWZHHSXBNC-UHFFFAOYNA-L
Lipinski's Rule of Five
Molar Refractivity 107.3
Topological Polar Surface Area 214.1
Polarizability 49.3
Ring Count 2
Rotatable Bond Count 15

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 81069-02-5 $321.30-$1,403.33$321.30$935.55$1,403.33
Request Quote