Calcium Glycerophosphate Hydrate - ≥95% , CAS No.27214-00-2

CAS: 27214-00-2 Cat. No.: C153699 Molecular Weight: 210.13(as Anhydrous） EC Number: 248-328-5

GRADE & PURITY ≥95%

Synonyms

C3H7CaO6P | 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1) | EINECS 249-312-0 | Calcium 1-glycerophosphate | DTXSID40873179 | Calcium 2,3-hydroxypropyl phosphate | Q27286832 | EINECS 204-813-3 | Glycerol phosphate calcium salt hydrate

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

C3H7CaO6P | 1, 2, 3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1) | EINECS 249-312-0 | Calcium 1-glycerophosphate | DTXSID40873179 | Calcium 2, 3-hydroxypropyl phosphate | Q27286832 | EINECS 204-813-3 | Glycerol phosphate calcium salt hydrate

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488187629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187629
• Canonical Smiles: C(C(COP(=O)([O-])[O-])O)O.[Ca+2]
• IUPAC Name: calcium;2,3-dihydroxypropyl phosphate
• InChIKey: IWIRHXNCFWGFJE-UHFFFAOYSA-L
• INCHI: 1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
• Isomeric SMILES: C(C(COP(=O)([O-])[O-])O)O.[Ca+2]
• Alternate CAS: 58409-70-4;1336-00-1;28917-82-0
• Molecular Weight: 210.13(as Anhydrous）
• Reaxy-Rn: 6099192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6099192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerophosphates
• Alternative Parents: Alkyl phosphates Secondary alcohols 1,2-diols Organic calcium salts Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sn-glycerol-3-phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - 1,2-diol - Organic calcium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glycerophosphates. These are compounds containing a glycerol linked to a phosphate group.
• 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: 210.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 209.961 Da
• Monoisotopic Mass: 209.961 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Guangpeng Zhang, Xinying Wang, Guolong Meng, Tingting Xu, Jun Shu, Jingwen Zhao, Jing He, Fang Wu.  (2023)  Enzyme-Mineralized PVASA Hydrogels with Combined Toughness and Strength for Bone Tissue Engineering.  ACS Applied Materials & Interfaces,      [PMID:38116784] [10.1021/acsami.3c14006]

2. Wangsiyuan Teng, Zengjie Zhang, Yikai Wang, Yuxiao Ye, Eloy Yinwang, An Liu, Xingzhi Zhou, Jianxiang Xu, Chengwei Zhou, Hangxiang Sun, Fangqian Wang, Lingling Zhang, Chongguang Cheng, Peng Lin, Yan Wu, Zhongru Gou, Xiaohua Yu, Zhaoming Ye.  (2021)  Iodine Immobilized Metal–Organic Framework for NIR-Triggered Antibacterial Therapy on Orthopedic Implants.  Small,  17  (35): (2102315).  [PMID:34309186] [10.1002/smll.202102315]