Tìm theo
Lividomycin A
Thuốc Gốc
Small Molecule
CAS: 36441-41-5
CTHH: C29H55N5O18
PTK: 761.7697
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C29H55N5O18
Phân tử khối
761.7697
Monoisotopic mass
761.354209981
InChI
InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1
InChI Key
InChIKey=DBLVDAUGBTYDFR-SWMBIRFSSA-N
IUPAC Name
(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
lividomycin A
SMILES
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)C[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Độ hòa tan
6.61e+01 g/l
logP
-9.4
logS
-1.1
pKa (strongest acidic)
12.02
pKa (Strongest Basic)
9.99
PSA
406.24 Å2
Refractivity
165.56 m3·mol-1
Polarizability
74.38 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
23
H Bond Donor Count
15
Physiological Charge
5
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04728
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=72394
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505425
... loading
... loading