AC70869
951-78-0 | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AC70869
ChemicalName
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CasNumber
951-78-0
MolecularFormula
C9H12N2O5
MolecularWeight
228.202
MdlNumber
MFCD00006527
Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O
Complexity
343
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-1.6
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CatalogNumber: AC70869
ChemicalName: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CasNumber: 951-78-0
MolecularFormula: C9H12N2O5
MolecularWeight: 228.202
MdlNumber: MFCD00006527
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O
Complexity: 343
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.6
CatalogNumber:
AC70869
ChemicalName:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CasNumber:
951-78-0
MolecularFormula:
C9H12N2O5
MolecularWeight:
228.202
MdlNumber:
MFCD00006527
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O
Complexity:
343
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.6
CatalogNumber: AC70870
ChemicalName: 3-Chloro-2-hydroxyphenylboronic acid
CasNumber: 951655-50-8
MolecularFormula: C6H6BClO3
MolecularWeight: 172.374
MdlNumber: MFCD08689551
Smiles: OB(c1cccc(c1O)Cl)O
Complexity: 133
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AC70870
ChemicalName:
3-Chloro-2-hydroxyphenylboronic acid
CasNumber:
951655-50-8
MolecularFormula:
C6H6BClO3
MolecularWeight:
172.374
MdlNumber:
MFCD08689551
Smiles:
OB(c1cccc(c1O)Cl)O
Complexity:
133
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccccc1)/C=N/c1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccccc1)/C=N/c1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(OCC1(N)CCOCC1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OCC1(N)CCOCC1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__