Enviomycin
Các tên gọi khác (5
) :
- Enviomicina
- Enviomycin
- Enviomycine
- Enviomycinum
- Tuberactinomycin N
Thuốc Gốc
Small Molecule
CAS: 33103-22-9
CTHH: C25H43N13O10
PTK: 685.69
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H43N13O10
Phân tử khối
685.69
Monoisotopic mass
685.325584661
InChI
InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1
InChI Key
InChIKey=HPWIIERXAFODPP-GHBBWTPBSA-N
IUPAC Name
(3R,4R)-3,6-diamino-4-hydroxy-N-[(3S,6Z,9S,12S,15S)-2,5,8,11,14-pentahydroxy-6-{[(C-hydroxycarbonimidoyl)amino]methylidene}-9,12-bis(hydroxymethyl)-3-[(4R)-2-imino-1,3-diazinan-4-yl]-1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl]hexanimidic acid
Traditional IUPAC Name
(3R,4R)-3,6-diamino-4-hydroxy-N-[(3S,6Z,9S,12S,15S)-2,5,8,11,14-pentahydroxy-6-[(C-hydroxycarbonimidoylamino)methylidene]-9,12-bis(hydroxymethyl)-3-[(4R)-2-imino-1,3-diazinan-4-yl]-1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl]hexanimidic acid
SMILES
[H]\C(NC(O)=N)=C1\N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CN=C(O)[C@@]([H])(N=C1O)[C@@]1([H])CCNC(=N)N1)N=C(O)C[C@@]([H])(N)[C@]([H])(O)CCN
Độ hòa tan
1.55e-01 g/l
logP
-9.6
logS
-3.6
pKa (strongest acidic)
2.5
pKa (Strongest Basic)
11.74
PSA
412.29 Å2
Refractivity
186.22 m3·mol-1
Polarizability
65.21 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
23
H Bond Donor Count
17
Physiological Charge
3
Number of Rings
2
Bioavailability
0
Dữ Kiện Thương Mại
Nhà Sản Xuất
-
Công ty : Asahi Kasei PharmaSản phẩm biệt dược : Tuberactin
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