(1R,3S)-Cyclopentane-1,3-dicarboxylic Acid - CAS 876-05-1
Catalog: |
BB038548 |
Product Name: |
(1R,3S)-Cyclopentane-1,3-dicarboxylic Acid |
CAS: |
876-05-1 |
Synonyms: |
(1R,3S)-cyclopentane-1,3-dicarboxylic acid; (1R,3S)-cyclopentane-1,3-dicarboxylic acid |
IUPAC Name: | (1S,3R)-cyclopentane-1,3-dicarboxylic acid |
Description: | (1R,3S)-Cyclopentane-1,3-dicarboxylic Acid (CAS# 876-05-1) is used in preparation of bis(Amino Acid) derivatives as inhibitors of human immunodeficiency virus replication and use for treatment of HIV infection. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H10O4 |
Canonical SMILES: | C1CC(CC1C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+ |
InChI Key: | LNGJOYPCXLOTKL-SYDPRGILSA-N |
Boiling Point: | 320.7 °C at 760 mmHg |
Density: | 1.396 g/cm3 |
MDL: | MFCD01311175 |
LogP: | 0.57190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019048316-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED FERROCES, RUTHENOCENE AND OSMOCENE AND SUBSTANCES MADE ACCORDING TO THE PROCESS | 20170907 |
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Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0579088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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