Fmoc-Ser(HPO3Bzl)-OH - ≥97%(HPLC) , CAS No.158171-14-3

CAS: 158171-14-3 Cat. No.: F116843 Molecular Weight: 497.43 Beilstein Registry Number: 7060483 EC Number: 822-879-7

GRADE & PURITY ≥97%(HPLC)

Synonyms

(S)-3-(Benzyloxy-hydroxy-phosphoryloxy)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid | (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid | F10661 | AKOS015895499 | AS-74012 | EN300-53081 | N-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Synthesis of phosphopeptides

Specifications

Synonyms

(S)-3-(Benzyloxy-hydroxy-phosphoryloxy)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid | (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid | F10661 | AKOS015895499 | AS-74012 | EN300-53081 | N-

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765872
• Canonical Smiles: C1=CC=C(C=C1)COP(=O)(O)OCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid
• InChIKey: ZBPUWGDUVAAWJY-QHCPKHFHSA-N
• INCHI: 1S/C25H24NO8P/c27-24(28)23(16-34-35(30,31)33-14-17-8-2-1-3-9-17)26-25(29)32-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)(H,30,31)/t23-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)COP(=O)(O)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• WGK Germany: 3
• Molecular Weight: 497.43
• Beilstein: 7060483
• Reaxy-Rn: 43499094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43499094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Phosphoethanolamines Dialkyl phosphates Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Phosphoethanolamine - Dialkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

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: 497.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 497.124 Da
• Monoisotopic Mass: 497.124 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 751.000
• 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