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Hydroxyectoin

Hydroxyectoin structure

CAS No:
165542-15-4
Formula:
C6H10N2O3
Chemical Name:
Hydroxyectoin
Synonyms:
4-Pyrimidinecarboxylic acid,1,4,5,6-tetrahydro-5-hydroxy-2-methyl-,(4S,5S)-;4-Pyrimidinecarboxylic acid,1,4,5,6-tetrahydro-5-hydroxy-2-methyl-,[S-(R*,R*)]-;(4S,5S)-1,4,5,6-Tetrahydro-5-hydroxy-2-methyl-4-pyrimidinecarboxylic acid;(S,S)-β-Hydroxyectoine;β-Hydroxyectoine;Hydroxyectoin;(S,S)-1,4,5,6-tetrahydro-5-hydroxy-2-methyl-4-pyrimidinecarboxylic acid;Pyrostatin A;Pyrostatine A;5-Hydroxyectoine;162763-50-0
Categories:
Cosmetic Ingredient > Skin Conditioning

Description

5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a carboxamidine, a secondary alcohol, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of a 5-hydroxyectoinate. It is a tautomer of a 5-hydroxyectoine zwitterion.

Hydroxyectoin Basic Attributes

Molecular Weight：

158.15500

Exact Mass：

158.16

UNII：

CIJ7YN252E

DSSTox ID：

DTXSID80167963

HScode：

2933599090

Characteristics

PSA：

81.92000

XLogP3：

-1.41350

Density：

1.56g/cm3

Boiling Point：

465.2ºC at 760 mmHg

Flash Point：

235.2ºC

Refractive Index：

1.634

Vapor Pressure：

1.3E-10mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-hydroxyectoine

Computed Properties

Molecular Weight:158.16
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.06914219
Monoisotopic Mass:158.06914219
Topological Polar Surface Area:81.9
Heavy Atom Count:11
Complexity:202
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hydroxyectoin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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