617-48-1 (DL-苹果酸,DL-Malic acid)

DL-苹果酸(617-48-1)名称与标识符

名称

中文别名:
DL-苹果酸;DL-羟基丁二酸;2-羟基琥珀酸;DL-苹果酸(DL-Malic acid);DL-苹果酸(药用辅料);DL-苹果酸,AR;DL-苹果酸,BR;DL-苹果酸,CP;抗结剂;苹果酸;羟基丁二酸;DL-羟基琥珀酸;
英文别名:
DL-Malic acid;DL-Hydroxysuccinic acid;Malicacidpfelsure;dl-Hydroxybutanedioic acid;dl-Malicacid(Technical);Malic acid;(D,L)-Malic acid;2-hydroxybutane-1,4-dial;2-hydroxybutane-1,4-dioic acid;2-hydroxy-succinaldehyde;2-hydroxysuccinic acid;AC1NBVW9;AG-H-08723;Butanedial, hydroxy-;CTK2G6704;HYDROXY-1,4-BUTANEDIAL;Hydroxy-succinaldehyd;hydroxy-succinaldehyde;hydroxysuccinic acid;DL-2-Hydroxybutanedioic acid;DL-Apple acid;DL-Malicacid;MALIC ACID (USP-RS);bmse000904;DL-Malic acid, >=98% (capillary GC);M0020;Q-201028;INS NO. 296;Z104473230;R-Malic acid;MALIC ACID [USP-RS];EINECS 230-022-8;6915-15-7;(+/-)-HYDROXYSUCCINIC ACID;2-HYDROXY-SUCCINIC ACID;alpha-Hydroxysuccinic acid;NSC-25941;UNII-817L1N4CKP;EN300-19229;bmse000046;MFCD00064212;NSC25941;BRD-A18396475-001-15-3;C00711;CHEBI:6650;DL-Malic acid, FCC, >=99%;Apple acid;STR03457;HMS2358H06;DTXSID0027640;MALIC ACID [MI];DL-Malic acid, analytical standard;2-Hydroxydicarboxylic acid;Malic acid, DL-;MALIC ACID [FCC];SY003313;2-hydroxyl-succinic acid;Malic acid, L-;.+-.-Malic acid;DL-Malic acid, 99%;0C9A2DC0-FEA2-4864-B98B-0597CDD0AD06;(+/-)-Malic acid;NCGC00254259-01;s9001;L023999;Hydroxybutanedioic acid, (-)-;BDBM92495;hydroxybutanedioic acid;AI3-06292;MALIC ACID (EP MONOGRAPH);(+/-)-2-Hydroxysuccinic acid;NSC 9232;EINECS 210-514-9;CCG-266122;NCGC00043225-03;DL-Malic acid, >=99%;HMS3371C13;AKOS017278471;HY-Y1311;BUTANEDIOIC ACID, HYDROXY-, (S)-;EPA Pesticide Chemical Code 051101;Pomalous acid;F0918-0088;STL283959;butanedioic acid, 2-hydroxy-;D-Hydroxysuccinic acid; (R)-Hydroxybutanedioic acid;E296;Pomalus acid;Q190143;NCGC00259086-01;DL-Malic acid, meets analytical specification of FCC, E296, 99-100.5% (alkalimetric);HSDB 1202;(S)-Hydroxybutanedioic acid;AKOS000120085;DL-Malic acid 1000 microg/mL in Methanol;Aepfelsaeure;Malic acid, Pharmaceutical Secondary Standard; Certified Reference Material;M-0825;HYDROXYBUTANEDIOIC ACID, (+/-)-;MALIC ACID [USP IMPURITY];Musashi-no-Ringosan;Butanedioic acid, hydroxy-;H2mal;180991-05-3;HYDROXYBUTANEDIOIC ACID [HSDB];Butanedioic acid, (.+-.)-;SY009804;Oprea1_624131;MALIC ACID [II];MALIC ACID [VANDF];Oprea1_130558;R,S(+-)-Malic acid;CAS-6915-15-7;d,l-malic acid;FEMA No. 2655;Caswell No. 537;EC 210-514-9;L-Malic acid-1-13C;Hydroxybutandisaeure;(R)-Hydroxybutanedioic acid;MALIC ACID [WHO-DD];E-296;DL-Malic acid, Vetec(TM) reagent grade, 98%;MLS000084707;Malic acid-, (L-form)-;D04843;Malic acid [NF];NCGC00043225-02;Malic acid, meets USP/NF testing specifications;Butanedioic acid, 2-hydroxy-, (2S)-;Succinic acid, hydroxy-;Racemic malic acid;FEMA Number 2655;Monohydroxybernsteinsaeure;2-hydroxy-butanedioic acid;INS-296;Deoxytetraric acid;FDA 2018;Malic Acid1524;NS00008011;AB00443952-12;143435-96-5;Opera_ID_805;Tox21_300372;Malic acid (NF);Malic acid, United States Pharmacopeia (USP) Reference Standard;NSC 25941;EU-0067046;malate;CCRIS 2950;MALIC ACID,(DL);DB-016133;SCHEMBL856;617-48-1;INS NO.296;Tox21_201536;CHEMBL1455497;2-Hydroxyethane-1,2-dicarboxylic acid;MALIC ACID (CONSTITUENT OF CRANBERRY LIQUID PREPARATION) [DSC];Malicum acidum;DL-Malic acid, SAJ first grade, >=99.0%;DTXCID107640;DB12751;2-Hydroxybutanedioic acid;(+-)-Malic acid;DL-Malic acid, ReagentPlus(R), 99%;DL-Malic acid, ReagentPlus(R), >=99%;C03668;CCRIS 6567;Kyselina jablecna [Czech];Hydroxybutanedioic acid, (+-)-;DL-Malic acid, USP, 99.0-100.5%;(+-)-1-Hydroxy-1,2-ethanedicarboxylic acid;SMR000019054;817L1N4CKP;GTPL2480;MALIC ACID (USP IMPURITY);(+-)-Hydroxysuccinic acid;Kyselina hydroxybutandiova;MALIC ACID (II);CS-0017784;Kyselina jablecna;MALIC ACID (CONSTITUENT OF CRANBERRY LIQUID PREPARATION);EC 230-022-8;MALIC ACID [EP MONOGRAPH];Kyselina hydroxybutandiova [Czech];

标识符

MDL:
MFCD00064212
InChIKey:
BJEPYKJPYRNKOW-UHFFFAOYSA-N
Inchi:
1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
SMILES:
OC(C(=O)O)CC(=O)O

DL-苹果酸(617-48-1)物化性质

实验特性

  • LogP : log Kow = -1.26
  • 熔点 : 130-132ºC
  • 蒸气压 : <0.1 mm Hg ( 20 °C)
  • 闪点 : 203°C
  • FEMA : 2457
  • 溶解度 : methanol: 0.1 g/mL, clear, colorless
  • 稳定性 : Stable. Incompatible with strong oxidizing agents, strong bases, amines, alkali metals, carbonates.
  • 密度 : 1,609 g/cm3

计算特性

  • 精确分子量 : 134.02152329g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 3
  • 同位素质量 : 134.02152329g/mol
  • 重原子数量 : 9
  • 复杂度 : 129
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 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
  • 拓扑分子极性表面积 : 94.8Ų

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DL-苹果酸(617-48-1)谱图信息

1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

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