Home > Compound List > Compound details
15718-50-0 molecular structure
click picture or here to close

sodium (3aR,4R,6R,6aR)-4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-2-olate

ChemBase ID: 179396
Molecular Formular: C9H10N2NaO8P
Molecular Mass: 328.147831
Monoisotopic Mass: 328.0072462
SMILES and InChIs

SMILES:
[nH]1c(=O)n(ccc1=O)[C@H]1[C@H]2[C@@H]([C@H](O1)CO)OP(=O)(O2)[O-].[Na+]
Canonical SMILES:
OC[C@H]1O[C@H]([C@H]2[C@@H]1OP(=O)(O2)[O-])n1ccc(=O)[nH]c1=O.[Na+]
InChI:
InChI=1S/C9H11N2O8P.Na/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14;/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14);/q;+1/p-1/t4-,6-,7-,8-;/m1./s1
InChIKey:
LXUDDBXIXSYSRT-IAIGYFSYSA-M

Cite this record

CBID:179396 http://www.chembase.cn/molecule-179396.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (3aR,4R,6R,6aR)-4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-2-olate
IUPAC Traditional name
sodium 2',3'-cyclic ump
Synonyms
Uridine Cyclic 2',3'-(Hydrogen Phosphate) Monosodium Salt
Uridine-2',3'-cyclic Monophosphate Sodium Salt
CAS Number
15718-50-0
PubChem SID
164235306
PubChem CID
44755149

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC U829915 external link Add to cart
PubChem 44755149 external link
Data Source Data ID Price
TRC
U829915 external link Add to cart Please log in.
Data Source Data ID
PubChem 44755149 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7621871  H Acceptors
H Donor LogD (pH = 5.5) -4.000279 
LogD (pH = 7.4) -4.020572  Log P -1.6422703 
Molar Refractivity 58.5378 cm3 Polarizability 24.200571 Å3
Polar Surface Area 137.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - U829915 external link
Uridine 2’,3’-Cyclic Monophosphate is a key compound in the enzymic synthesis of short oligoribonucleotides.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Tomasz, J., et al.: Nucleic Acid Chem., 2, 875 (1978)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle