AA72718
14487-45-7 | H-DL-Glu(OMe)-OH
Manufacturer: A2B Chem
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CatalogNumber
AA72718
ChemicalName
H-DL-Glu(OMe)-OH
CasNumber
14487-45-7
MolecularFormula
C6H11NO4
MolecularWeight
161.15584
MdlNumber
MFCD00063110
Smiles
COC(=O)CCC(C(=O)O)N
NscNumber
12959
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-3.4
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CatalogNumber: AA72718
ChemicalName: H-DL-Glu(OMe)-OH
CasNumber: 14487-45-7
MolecularFormula: C6H11NO4
MolecularWeight: 161.15584
MdlNumber: MFCD00063110
Smiles: COC(=O)CCC(C(=O)O)N
NscNumber: 12959
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -3.4
CatalogNumber:
AA72718
ChemicalName:
H-DL-Glu(OMe)-OH
CasNumber:
14487-45-7
MolecularFormula:
C6H11NO4
MolecularWeight:
161.15584
MdlNumber:
MFCD00063110
Smiles:
COC(=O)CCC(C(=O)O)N
NscNumber:
12959
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-3.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H](C(=O)OCc1ccccc1)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@@H](C(=O)OCc1ccccc1)C(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccnc(c1C(F)(F)F)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccnc(c1C(F)(F)F)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccnc(c1Br)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccnc(c1Br)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__