Glyceryl monoacetate
PubChem CID: 33510
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| Compound Synonyms | 2,3-Dihydroxypropyl acetate, 1-Monoacetin, Monoacetin, 106-61-6, Acetin, 26446-35-5, Glycerol monoacetate, Glyceryl monoacetate, Acetoglyceride, Glyceryl acetate, ACETIN, 1-MONO-, Monoacetyl glycerine, Glycerol acetate, 1,2,3-Propanetriol, 1-acetate, Acetin, mono-, Glycerol 1-monoacetate, Glyceryl 1-monoacetate, Glyceryl 1-acetate, Monacetin, Glycerine 1-acetate, 1,2,3-Propanetriol, acetate, Acetic acid, monoglyceride, Mono-acetin, alpha-Monoacetin, .alpha.-Monoacetin, Acetyl monoglyceride, Glycerin monoacetate, Glycerine monoacetate, 1335-58-6, Glycerol alpha-monoacetate, Glycerol 1-acetate, Glycerol .alpha.-monoacetate, NSC 35010, CCRIS 5881, HSDB 4285, 1,2,3,-Propanetriol monoacetate, (+-)-2,3-Dihydroxypropyl acetate, 93713-40-7, EINECS 203-415-7, EINECS 247-704-6, 1NA86SF2H2, AI3-24158, EINECS 215-637-1, NSC-35010, 1-MONOACETIN [USP IMPURITY], (+/-)-2,3-DIHYDROXYPROPYL ACETATE, Glycerol, 1-acetate, 1,2,3-Propanetriol monoacetate, 1-MONOACETIN (USP IMPURITY), Glycerol 1-Acetate (Technical grade), MONOACETOGLYCERIDE, UNII-1NA86SF2H2, UNII-84IK99H5ZH, alphaMonoacetin, Acetin, mono, Acetin, 1mono, Glycerine 1acetate, Glycerol, 1acetate, Monoacetin-technical, acetyl glyceryl ether, Glycerol 1monoacetate, Glyceryl 1monoacetate, Glycerol alphamonoacetate, 1-MONO-ACETIN, MONOACETIN [HSDB], 2,3Dihydroxypropyl acetate, WLN: Q1YQ1OV1, EASTMAN 9-45, SCHEMBL33457, 1,2,3-Propanetriol,acetate, 1,3-Propanetriol, 1-acetate, Acetic acid, monoglyceraldehyde, 84IK99H5ZH, GLYCERYL ACETATE [INCI], 1,2,3,Propanetriol monoacetate, 1,2,3Propanetriol, monoacetate, DTXSID4041579, DTXSID5024396, MAG 2:0, DTXCID901323290, Glycerine 1-acetate, 1-Monoacetin, NSC35010, MFCD00036185, MG 2:0, AKOS027320964, SB84223, (.+/-.)-2,3-Dihydroxypropyl acetate, acetic acid 2,3-dihydroxy-propyl ester, 1,2,3-Propanetriol, 1-acetate (9CI), AS-44339, FD167339, FM159268, Monoacetin (contains Di-,Tri-, Glycerol), NS00020920, A10893, A902062, Q27252646, 203-415-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CC=O)OCCCO))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Monoradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl acetate |
| Prediction Hob | 1.0 |
| Class | Glycerolipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -1.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMZHZAAOEWVPSE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | 0.653 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.143 |
| Synonyms | 2,3-Dihydroxypropyl acetic acid, Monoacetin, Glyceryl monoacetate, Glyceryl acetate, acetin |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Glyceryl monoacetate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 134.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.22238780000000002 |
| Inchi | InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3 |
| Smiles | CC(=O)OCC(CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 1-monoacylglycerols |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Racemosa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16176901 - 2. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all