Tìm theo
6-Deoxyerythronolide B
Thuốc Gốc
Small Molecule
CTHH: C21H38O6
PTK: 386.5228
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H38O6
Phân tử khối
386.5228
Monoisotopic mass
386.266838948
InChI
InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
InChI Key
InChIKey=HQZOLNNEQAKEHT-IBBGRPSASA-N
IUPAC Name
(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
Traditional IUPAC Name
6-deoxyerythronolide B
SMILES
[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O
Độ hòa tan
1.12e+00 g/l
logP
2.87
logS
-2.5
pKa (strongest acidic)
14
pKa (Strongest Basic)
-3
PSA
104.06 Å2
Refractivity
102.94 m3·mol-1
Polarizability
42.94 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04070
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=121904
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508714
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C03240
ChemSpider
http://www.chemspider.com/Chemical-Structure.108752.html
... loading
... loading