Home > Compound List > Compound details
5627-05-4 molecular structure
click picture or here to close

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

ChemBase ID: 127041
Molecular Formular: C9H14N2O6
Molecular Mass: 246.21726
Monoisotopic Mass: 246.08518618
SMILES and InChIs

SMILES:
O=C1N(CCC(=O)N1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO
Canonical SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CCC(=O)NC1=O
InChI:
InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey:
ZPTBLXKRQACLCR-XVFCMESISA-N

Cite this record

CBID:127041 http://www.chembase.cn/molecule-127041.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
IUPAC Traditional name
dihydrouridine
Synonyms
3,4-dihydrouridine
3,4,5,6-tetrahydrouridine
5,6-dihydrouridine
Dihydrouridine
CAS Number
5627-05-4
PubChem SID
162221364
PubChem CID
94312
Chemspider ID
85115
Wikipedia Title
Dihydrouridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.585075  H Acceptors
H Donor LogD (pH = 5.5) -2.7731593 
LogD (pH = 7.4) -2.773187  Log P -2.7731588 
Molar Refractivity 52.3418 cm3 Polarizability 21.156717 Å3
Polar Surface Area 119.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle