(R) - 3- Mercaptopropane- 1, 2- diol - CAS 16495-21-9
Catalog: |
BB056394 |
Product Name: |
(R) - 3- Mercaptopropane- 1, 2- diol |
CAS: |
16495-21-9 |
Synonyms: |
(2R)-3-Mercapto-1,2-propanediol; (-)-3-Mercapto-1,2-propanediol; (2R)-3-Mercapto-1,2-propanediol; (2R)-3-Sulfanylpropane-1,2-diol; (R)-3-Mercapto-1,2-propane |
IUPAC Name: | (2R)-3-sulfanylpropane-1,2-diol |
Description: | (R) - 3- Mercaptopropane- 1, 2- diol is a reagent in the preparation of racemic and enantiomerically pure thiadideoxycytidine as potential anti-hepatitis B virus agent. |
Molecular Weight: | 108.16 |
Molecular Formula: | C3H8O2S |
Canonical SMILES: | C(C(CS)O)O |
InChI: | InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1 |
InChI Key: | PJUIMOJAAPLTRJ-GSVOUGTGSA-N |
References: | Pan, B., et al. J. Heterocycl. Chem., 34, 909 (1997). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 32 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 108.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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