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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
68684-55-9
Cocarboxylase tetrahydrate | 68684-55-9
Product name:Cocarboxylase tetrahydrate
CAS No:
68684-55-9
MF:C12H18N4O7P2S.4[H2O]
MW:496.36764
CID:58844
PubChem ID:
45358321
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Copper Pyrophosphate
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10102-90-6
pyrophosphate ferric
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10058-44-3
Tetrabenzyl diphosphate
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990-91-0
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7722-88-5
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Basic Information
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Names and Identifiers
Cocarboxylase tetrahydrate
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium P,P'-dioxide tetrahydrate
COCABOXYLASETETRAHYDRATE
Cocarboxylasetetrahydrate(thiaminediphosphoricacidestertetrahydrate)
Thiamine diphosphoric acid ester
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
tetrahydrate
68684-55-9
Thiamine diphosphate free ester tetrahydrate [MI]
749XRF8JS6
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydrogen phosphonatooxy)(hydroxy)phosphoryloxy)ethyl)-4-methylthiazol-3-ium tetrahydrate
Thiamine diphosphate free ester tetrahydrate
Cocarboxylase- Tetrahydrat
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt, tetrahydrate
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt, hydrate (1:4)
MFCD00150680
TRIMETHYLAMMONIUMFORMIATE
BCP14856
AKOS015896586
UNII-749XRF8JS6
Cocarboxylase tetrahydrate [WHO-DD]
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt, P,P'-dioxide, tetrahydrate
Expand
InChIKey:KLOLNRGPRQYTIW-UHFFFAOYSA-N
Inchi:1S/C12H18N4O7P2S.ClH.4H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H;4*1H2
SMILES:O.O.O.O.CC1=NC=C(C[N+]2=CSC(CCOP(OP([O-])(O)=O)(O)=O)=C2C)C(N)=N1
Chemical and Physical Properties
Computed Properties
Exact Mass: 496.07900
Hydrogen Bond Donor Count: 7
Hydrogen Bond Acceptor Count: 15
Rotatable Bond Count: 8
Monoisotopic Mass: 496.079
Heavy Atom Count: 30
Complexity: 565
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 5
Topological Polar Surface Area: 204A^2
Experimental Properties
LogP: 1.60390
PSA: 256.58000
Melting Point: >170°C (dec.)
Solubility: Water (Slightly)
Security Information
Safety Instruction:H303+H313+H333
Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
Warning Statement:P264+P280+P305+P351+P338+P337+P313
Storage Condition:Hygroscopic, -20°C Freezer, Under inert atmosphere
Signal Word:warning
Related Products
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