Product Code
C300008
CAS
102029-52-7
Acetoacetyl Coenzyme A, Sodium salt
CAS 102029-52-7 | Product Code C300008
Details
Chemical Properties
Hazards
Transport
Documentation
Product Code
C300008
CAS Number
102029-52-7
IUPAC
trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical Smiles
[Na+].CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])(O)=O)N1C=NC2=C(N)N=CN=C12
InChI
InChI=1S/C25H40N7O18P3S.Na/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);/q;+1/p-3
InChI Key
NRHUISIEYDQHAV-UHFFFAOYSA-K
UNSPSC Code
41106305
SKU
C300008
Purity
95%
Molecular Weight
871.104
Logp
-6.2482
H Bond Acceptors
23
H Bond Donors
6
Fsp3
0.64
State
Solid
SDS Documents
Pictograms
GHS07: Harmful/Irritant
Signal Word
Warning
Hazard Statements
- H302 – Harmful if swallowed.
- H315 – Causes skin irritation.
- H319 – Causes serious eye irritation.
- H335 – May cause respiratory irritation.
Precautionary Phrases
- P101 – If medical advice is needed, have product container or label at hand.
- P260 – Do not breathe dust/fume/gas/mist/vapours/spray.
- P264 – Wash hands thoroughly after handling.
- P270 – Do not eat, drink or smoke when using this product.
- P271 – Use only outdoors or in a well-ventilated area.
- P280 – Wear protective gloves/protective clothing and eye/face protection.
- P301+P310 – IF SWALLOWED: Immediately call a POISON CENTER/doctor.
- P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
- P303+P361+P353 – IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
- P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
- P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321 – Specific treatment (see Section 4 on this SDS).
- P362+P364 – Take off contaminated clothing and wash it before reuse.
- P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
- P405 – Store locked up.
- P501 – Dispose of contents/container to hazardous waste disposal.
Shipping Name
Non Hazardous For Transport
Download Certificate of Analysis
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At the University of Manchester, we trust Fluorochem’s consistent quality, swift deliveries, and great customer service. Their pricing remains highly competitive without compromising compliance standards.
Senior Procurement Officer