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5-amino-6-(D-ribitylamino)uracil

HCID 193516
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
17014-74-3
Standard SMILES
Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O
InChIKey
XKQZIXVJVUPORE-RPDRRWSUSA-N
Molecular formula
C9H16N4O6
Average molar mass
276.25 g/mol
Monoisotopic mass
276.10698424

Names & identifiers

Preferred name
5-amino-6-(D-ribitylamino)uracil
IUPAC
5-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
English name
5-amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione
Molecular formula
C9H16N4O6
Molecular weight
276.25

Names & synonyms

5-amino-6-(D-ribitylamino)uracil6-(1-D-ribitylamino)-5-aminouracil5-Amino-6-(1-D-ribitylamino)uracil6-(1-D-ribitylamino)-5-amino-2,4-dihydroxypyrimidine1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-D-ribitolCHEBI:159345-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine1-((5-Amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)-1-deoxy-D-ribitol5-amino-6-(((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)-1H-pyrimidine-2,4-dioneRefChem:1019715-amino-6-(((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
5 A RU,5ARU5-Amino-4-D-ribitylaminouracil5-Amino-6-(D-ribitylamino)uracil DISCONTINUED. Please see A629245.D-Ribitol, 1-[(5-amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)amino]-1-deoxy-
17014-74-35-Arpd5-A-RU5-Amino-6-ribitylaminouracil5-Amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione5-Amino-2,6-dioxo-4-ribitylaminopyrimidine5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione5-Amino-4-D-ribitylaminouracil Dihydrochloride (>85%)

Properties

Computed structural properties

XLogP
-3.2
Topological polar surface area
177 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
398

Physicochemical properties

Density
1.67 · 1.67±0.1 g/cm3(Predicted)
solubility
DMSO (Slightly), Methanol (Slightly), Water (Slightly)
pka
11.6 · 11.60±0.10(Predicted)
form
Solid
color
Dark Red to Very Dark Red
Stability
Hygroscopic, Temperature Sensitive

Chemistry & industry

Applications

Uses5-Amino-4-D-ribitylaminouracil Dihydrochloride, is an intermediate in the synthesis of Lumazine (L473800) fluorophore.

Suppliers12 total

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

Related reactions

1 records
New reaction record
HRID 399375 reaction equation
HRID 399375As reactantuspto-grants-1998_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
17014-74-3
PubChem CID
193516
DTXSID
DTXSID60937742
ChEBI
CHEBI:15934
Nikkaji
J642.641G

Additional notes

DefinitionChEBI: An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis.