Ferricrocin-Iron
Thuốc Gốc
Small Molecule
CTHH: C28H44FeN9O13
PTK: 770.546
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
770.546
Monoisotopic mass
770.240799672
InChI
InChI=1S/C28H44N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20-,21-,22+;/m1./s1
InChI Key
InChIKey=FNBCUYMSQPYITB-WESVPMFNSA-N
IUPAC Name
(8R,14S,20R,23R)-14-(hydroxymethyl)-3,28,31-trimethyl-2$l^{3},29$l^{3},30$l^{3},36,37,40-hexaoxa-4,9,12,15,18,21,27,32,38-nonaaza-1-ferrahexacyclo[18.9.6.2^{8,23}.1^{1,4}.1^{1,27}.1^{1,32}]tetraconta-2,28,30-triene-10,13,16,19,22,39-hexone
Traditional IUPAC Name
ferricrocin-iron
SMILES
CC1=[O][Fe]2345ON1CCC[C@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](CCCN(O2)C(C)=[O]3)NC(=O)[C@@H](CCCN(O4)C(C)=[O]5)NC1=O
Độ hòa tan
3.17e+01 g/l
logP
-1.6
logS
-1.4
PSA
334.66 Å2
Refractivity
199.47 m3·mol-1
Polarizability
71.64 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
0
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
6
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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