AB09360
2001-96-9 | 4-Nitrophenyl-beta-d-xylopyranoside
Manufacturer: A2B Chem
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CatalogNumber
AB09360
ChemicalName
4-Nitrophenyl-beta-d-xylopyranoside
CasNumber
2001-96-9
MolecularFormula
C11H13NO7
MolecularWeight
271.2234
MdlNumber
MFCD00047519
Smiles
O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB09360
ChemicalName: 4-Nitrophenyl-beta-d-xylopyranoside
CasNumber: 2001-96-9
MolecularFormula: C11H13NO7
MolecularWeight: 271.2234
MdlNumber: MFCD00047519
Smiles: O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB09360
ChemicalName:
4-Nitrophenyl-beta-d-xylopyranoside
CasNumber:
2001-96-9
MolecularFormula:
C11H13NO7
MolecularWeight:
271.2234
MdlNumber:
MFCD00047519
Smiles:
O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=c1cc[nH]c(=S)[nH]1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
S=c1cc[nH]c(=S)[nH]1
Complexity:
__
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__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C[C@@H](C(=O)[O-])N.[K+].[K+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C[C@@H](C(=O)[O-])N.[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC12CCC(CC1)(CC2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC12CCC(CC1)(CC2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__