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1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

HCID 249989
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
52486-19-8
Standard SMILES
Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O
InChIKey
DWRXFEITVBNRMK-UHFFFAOYSA-N
Molecular formula
C10H14N2O6
Average molar mass
258.23 g/mol
Monoisotopic mass
258.08518617

Names & identifiers

Preferred name
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
IUPAC
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
English name
1-(-D-Xylofuranosyl)-5-methyluracil
Molecular formula
C10H14N2O6
Molecular weight
258.23

Names & synonyms

52486-19-85-METHYL-[2'-13C]URIDINE5-METHYL-[5'-13C]URIDINE1-(-D-Xylofuranosyl)-5-methyluracilThymineriboside5-methyl-UridineL-5-Methyluridine1-.beta.-D-ArabinofuranosylthymineTHYMINE-beta-D-ARABINOFURANOSIDEThymine, 1-.beta.-D-arabinofuranosyl-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneNCIOpen2_003208
Show more names
Xylo-5-methyluridine1-(β-D-Xylofuranosyl)-5-methyluracil1-(b-D-Xylofuranosyl)-5-methyluracil9-(b-D-Xylofuranosyl)-5-methyluracil1-(beta-D-Xylofuranosyl)-5-methyluracil5-Methyl-1-β-D-xylofuranosyl-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-β-D-xylofuranosyl-9-(?-D-Xylofuranosyl)-5-methyluracil, xylo-5-methyl uridine9-(b-D-Xylofuranosyl)-5-methyluracil, xylo-5-methyl uridine
NCIOpen2_007337MLS006011650SCHEMBL14388592DTXSID40862280DWRXFEITVBNRMK-UHFFFAOYSA-NNSC68929NSC77673NSC-77673

Database identifiers

CAS
52486-19-8、605-23-2
PubChem CID
249989
DTXSID
DTXSID40862280

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
119 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
409

Physicochemical properties

Melting point
156 · 156-157.5 °C(Solv: ethanol (64-17-5))
Density
1.576 · 1.576±0.06 g/cm3(Predicted)
pka
9.55 · 9.55±0.10(Predicted)

Chemistry & industry

Applications

Uses1-(β-D-Xylofuranosyl)-5-methyluracil is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

Suppliers14 total

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
攀纳燊(河南)医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
河南科弘生物科技有限公司0371-55969461 19139748274 · [email protected]
浙江天酶生物工程有限公司18957127338 15336502278 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
攀纳燊(河南)医药科学技术有限公司0371-55159968 18137130222 · [email protected]

Related reactions

1 records
New reaction record
HRID 121621 reaction equation
HRID 121621As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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