CAS 79200-57-0 (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol Hydrochloride (HCID 2734536)

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Basic information

CAS: 79200-57-0
Standard SMILES: Cl.N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: BLTXEPQZAMUGID-ILLHIODVSA-N
Molecular formula: C6H14ClNO3
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.06622099

Names & identifiers

Preferred name: (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol Hydrochloride
IUPAC: (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
English name: (1R,2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL)-1-AMINOCYCLOPENTANE HYDROCHLORIDE
Molecular formula: C6H14ClNO3
Molecular weight: 183.63

Names & synonyms

79200-57-0(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol Hydrochloride(1R,2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL)-1-AMINOCYCLOPENTANE HYDROCHLORIDEMFCD06799068(1R,2S,3R,5R)-3-Amino-5-(hydroxymethyl)cyclopentane-1,2-diol HCl(1R,2S,3R,5R)-3-Amino-5-(hydroxymethyl)-1,2-cyclopentanediol Hydrochloride(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride77841-56-6(1R,2S,3R,5R)-3-Amino-5-(hydroxymethyl)-cyclopentane-1,2-diol hydrochlorideSCHEMBL782945DTXSID80370354BLTXEPQZAMUGID-ILLHIODVSA-N

Show more names

(1R,2S,3R,5R)-3-Amino-5-(hydroxymethyl)-1,2-cyclopentanediol HCl(1R,2S,3R,4R)-2,3-Dihydroxy-4-(hydroxymethyl)-1-aminocyclopentaneHCl(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-1-aminocyclopentaneHCl,(ee)(1R,2S,3R,4R)-2,3-Dihydroxy-4-(hydroxymethyl)-1-aminocyclopentane hydrocloride(1R,2S,3R,4R)-2,3-Dihydroxy-4-(hydroxymethyl)-1-aminocyclopentane hydrochlorid

Properties

Computed structural properties

Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 120

Physicochemical properties

Density: 1.2361 · 1.2361 (rough estimate)
refractive index: 1.581 · 1.5810 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Light yellow to brown Solid
optical activity: -18.77 ° · -18.77°(C=0.59g/100mL, MEOH, 20°C, 589nm)
CAS DataBase Reference: 79200 · 79200-57-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HS Code: 29061900 · 29061900

Safety & regulation

Safety data

hs_code: 29061900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses(1R,2S,3R,5R)-3-Amino-5-(hydroxymethyl)-1,2-cyclopentanediol Hydrochloride is used as a reagent in the synthesis of pyridofuran substituted pyrimidine derivatives as hepatitus C virus (HCV) replication (replicase) inhibitors.