Text Search
Structure Search

trisodium 1-{[(4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-2-hydroxyethyl

trisodium 1-{[(4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-2-hydroxyethyl

CAS: 70431-34-4

Formula: C11H20NNa3O7

SMILES: [Na+].[Na+].[Na+].CC(=O)N[C@@H]1[C@@H](O)CC(O[CH]CO)O[C@@H]1[C@H](O)CO

IUPAC: trisodium 1-{[(4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-2-hydroxyethyl

InChI: InChI=1S/C11H20NO7.3Na/c1-6(15)12-10-7(16)4-9(18-3-2-13)19-11(10)8(17)5-14;;;/h3,7-11,13-14,16-17H,2,4-5H2,1H3,(H,12,15);;;/q;3*+1/t7-,8+,9?,10+,11+;;;/m0.../s1

Composition: C (38.05%), H (5.81%), N (4.03%), Na (19.86%), O (32.25%)

Molar Mass: 347.249

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 347.09163909
Formal Charge 3
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 5
InChIKey IPYNPWIUCZLARC-XAIQJKFESA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.63
Topological Polar Surface Area 128.48
Polarizability 25.46
Ring Count 1
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 70431-34-4 $216.32-$1,072.26$216.32$422.28$685.17$1,072.26
Request Quote