(R)-5-phosphomevalonate - Moligand™ , CAS No.73566-35-5

CAS: 73566-35-5 Cat. No.: R613077

GRADE & PURITY Moligand™

Synonyms

(R)-5-Phosphomevaloonic acid | PMV | (R)-Mevalonic acid 5-phosphate | SCHEMBL1286788 | Phosphomevalonate | (R)-5-Phosphomevalonic acid | mevalonate-5-phosphate | mevalonate-P | Mevalonic acid-5P | GTPL3046 | CHEBI:17436 | C01107 | 5-phosphomevalonate | (R

Storage

Room temperature

Specifications

Synonyms

(R)-5-Phosphomevaloonic acid | PMV | (R)-Mevalonic acid 5-phosphate | SCHEMBL1286788 | Phosphomevalonate | (R)-5-Phosphomevalonic acid | mevalonate-5-phosphate | mevalonate-P | Mevalonic acid-5P | GTPL3046 | CHEBI:17436 | C01107 | 5-phosphomevalonate | (R

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: OC(=O)C[C@@](CCOP(=O)(O)O)(O)C
• IUPAC Name: (3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid
• InChIKey: OKZYCXHTTZZYSK-ZCFIWIBFSA-N
• INCHI: 1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1
• Isomeric SMILES: C[C@@](CCOP(=O)(O)O)(CC(=O)O)O
• Reaxy-Rn: 1912544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Monoalkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - Short-chain hydroxy acid - Fatty acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
• External Descriptors: Hydroxy fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 228.140 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 228.04 Da
• Monoisotopic Mass: 228.04 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 247.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1