N-(8,9,10-Trihydroxy-7-Hydroxymethyl-2,4-Dioxo-6-Oxa-1,3-Diaza-Spiro[4.5]Dec-3-Yl-Acetamide
Thuốc Gốc
Small Molecule
CTHH: C10H15N3O8
PTK: 305.2414
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N3O8
Phân tử khối
305.2414
Monoisotopic mass
305.085914471
InChI
InChI=1S/C10H15N3O8/c1-3(15)12-13-8(19)10(11-9(13)20)7(18)6(17)5(16)4(2-14)21-10/h4-7,14,16-18H,2H2,1H3,(H,11,20)(H,12,15)/t4-,5-,6+,7-,10-/m1/s1
InChI Key
InChIKey=MAHIOGAAEAWGLR-WIWHXQPGSA-N
IUPAC Name
N-[(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]decan-3-yl]acetamide
Traditional IUPAC Name
N-[(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILES
CC(=O)NN1C(=O)N[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
Độ hòa tan
9.98e+01 g/l
logP
-3.9
logS
-0.49
pKa (strongest acidic)
8.95
pKa (Strongest Basic)
-3
PSA
168.66 Å2
Refractivity
61.83 m3·mol-1
Polarizability
27.02 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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