(3R,4R)-(-)-D-赤酮酸内酯 | 15667-21-7
中文名称:
(3R,4R)-(-)-D-赤酮酸内酯
英文名称:
(3R,4R)-3,4-dihydroxyoxolan-2-one
CAS No.:
15667-21-7
分子式:
C4 H6 O4
分子量:
118.0880
名称和标识符
MDL
MFCD00077763
InChIKey
SGMJBNSHAZVGMC-PWNYCUMCSA-N
Inchi
1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
SMILES
O1C([C@@]([H])([C@@]([H])(C1([H])[H])O[H])O[H])=O
别名信息
- 中文别名 -
(3R,4R)-(-)-D-赤酮酸内酯
D-赤酮酸内酯
D-Erythrono-1,4-内酯
D-Erythronolactone D-赤酮酸内酯
D-赤藓糖酸-1,4-内酯
(3R,4R)-二羟基二氢-2(3H)-呋喃酮
(3R-顺式) (-)-二氢-3,4-二羟基-2(3H)-呋喃酮
D-三羟丁酸 γ-内酯
- 英文别名 -
2(3H)-Furanone,dihydro-3,4-dihydroxy-, (3R,4R)-
D-Erythronolactone
(3R,4R)-Dihydroxydihydro-2(3H)-Furanone
D-Erythrono-1,4-lactone
(2R,3R)-BUTANE-2,3,4-TRIOL-1,4 LACTONE
(3R,4R)-(-)-D-Erythronolactone
1H-2-oxo-3,4-dihydroxyquinoline
2,3,4-Quinolinetriol
2,4-Quinolinetriol
2-Oxo-3,4-dihydroxy-1,2-dihydroquinolin
3,4-Dihydroxy-2-oxo-1,2-dihydro-chinolin
3,4-Dihydroxy-carbostyril
3,4-dihydroxy-dihydro-furan-2-one
Carbostyril-3,4-diol
D-Erythronic γ-Lactone
(3R,4R)-3,4-Dihydroxydihydrofuran-2(3H)-one
erythrono-1,4-lactone
(3R,4R)-3,4-dihydroxyoxolan-2-one
D-Erythronic acid gamma-lactone
2(3H)-Furanone, dihydro-3,4-dihydroxy-, (3R,4R)-
AK158528
PubChem5782
D-Erythrono-gamma-lacton
Erythronic acid g-lactone
D-Erythronic
A-Lactone
D-Erythronic gamma-Lactone
erythronic acid gamma-lactone
Erythronic acid-1,4-lactone
(3R,4R)-Dihydroxydihydro-2(3H)-furanone
InChI=1/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s
D-Erythronolactone, 98%
DS-9368
MFCD00077763
CHEBI:87625
3,4-Dihydroxyoxolan-2-onato(3-)
SGMJBNSHAZVGMC-PWNYCUMCSA-N
A809763
DTXSID90935493
SCHEMBL818248
(3R,4R)-rel-dihydro-3,4-dihydroxy-2(3H)-Furanone
CHEMBL113716
15667-21-7
dihydro-3,4-dihydroxy-cis-2(3H)-Furanone
C3A81166-85F4-4D25-8FB9-714897037227
Rel-(3R,4R)-3,4-dihydroxydihydrofuran-2(3H)-one
delta-Erythronic acid gamma-lactone
AKOS024262526
CS-0157912
W-201409
s11960
17675-99-9
Q27159785
d-erythrono-1,4-lactone
3,4-Dihydroxydihydro-2(3H)-furanone
E0455
D-Erythrono-1,4-lactone, >=95.0% (GC)
D-Erythronic acid gamma-lactone, 95%
EN300-371174
(3R,4R)-dihydro-3,4-dihydroxy-Threono-1,4-lactone 2(3H)-Furanone
erythronolactone
(3R,4R)-3,4-dihydroxytetrahydrofuran-2-one
物化性质
实验特性
LogP
-1.73500
PSA
66.76000
折射率
-71 ° (C=1, H2O)
沸点
277.1°C at 760 mmHg
熔点
100-102 °C (lit.)
蒸气压
0.0±1.3 mmHg at 25°C
闪点
129.1 °C
溶解度
DMSO (Slightly), Methanol (Slightly)
颜色与性状
白色固体
溶解性
无可用
光学活性
[α]20/D −71°, c = 1 in H2O
密度
1.0887 (rough estimate)
计算特性
精确分子量
118.02700
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
0
同位素质量
118.026609
重原子数量
8
复杂度
111
同位素原子数量
0
确定原子立构中心数量
2
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-1.3
互变异构体数量
6
表面电荷
0
拓扑分子极性表面积
66.8
海关数据
海关编码
2932209090
海关数据
中国海关编码:
2932209090
概述:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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参考资料
Reaxys RN
81073
Beilstein
81073
化合物详情(旧版)
SMILES
O[C@H]1[C@@H](O)C(=O)OC1