ALLANTOIN GALACTURONIC ACID
- Iupac Name：(2,5-dioxoimidazolidin-4-yl)urea;(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- CAS No.: 5119-24-4
- Molecular Weight：352.25484
- Modify Date.: 2022-11-29 02:20
1. Names and Identifiers
- 1.1 Name
- ALLANTOIN GALACTURONIC ACID
- 1.2 Synonyms
(2,5-dioxoimidazolidin-4-yl)urea,(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid 1-(2,5-Dioxo-4-imidazolidinyl)urea - D-galacturonic acid (1:1) Urea, N-(2,5-dioxo-4-imidazolidinyl)-, compd. with D-galacturonic acid (1:1)
- 1.3 CAS No.
- 5119-24-4
- 1.4 CID
- 71586809
- 1.5 Molecular Formula
- C10H16N4O10 (isomer)
- 1.6 Inchi
- InChI=1S/C6H10O7.C4H6N4O3/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;5-3(10)6-1-2(9)8-4(11)7-1/h1-4,6-9,12H,(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)/t1-,2+,3+,4-,6?;/m0./s1
- 1.7 InChkey
- DCFWIZFONLVPKL-KSSASCOMSA-N
- 1.8 Canonical Smiles
- C1(C(C(OC(C1O)O)C(=O)O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N
- 1.9 Isomers Smiles
- [C@@H]1([C@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N
2. Properties
- 2.1 PSA
- 248.74000
- 2.1 logP
- -4.48830
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Other Information
- 4.0 Use Classification
- Cosmetics -> Skin protecting; Soothing
5. Computational chemical data
- Molecular Weight: 352.25484g/mol
- Molecular Formula: C10H16N4O10
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 352.08664272
- Monoisotopic Mass: 352.08664272
- Complexity: 431
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 10
- Topological Polar Surface Area: 241
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count: 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADceBzvAAAAAAAAAAAAAAAAAAAAWAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACBTxgAcBCALABgAIAAGQGAIAAAAAAAAAAIHIAACRUBYAACQSQAANNyIHAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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7. Realated Product Infomation
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