AI55997
75607-67-9 | {[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Manufacturer: A2B Chem
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CatalogNumber
AI55997
ChemicalName
{[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
CasNumber
75607-67-9
MolecularFormula
C10H13FN5O7P
MolecularWeight
365.2117
MdlNumber
MFCD00866418
Smiles
O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(F)nc2N)COP(=O)(O)O
NscNumber
759194
Complexity
514
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
24
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
5
RotatableBondCount
4
Xlogp3
-3.1
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CatalogNumber: AI55997
ChemicalName: {[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
CasNumber: 75607-67-9
MolecularFormula: C10H13FN5O7P
MolecularWeight: 365.2117
MdlNumber: MFCD00866418
Smiles: O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(F)nc2N)COP(=O)(O)O
NscNumber: 759194
Complexity: 514
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: -3.1
CatalogNumber:
AI55997
ChemicalName:
{[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
CasNumber:
75607-67-9
MolecularFormula:
C10H13FN5O7P
MolecularWeight:
365.2117
MdlNumber:
MFCD00866418
Smiles:
O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(F)nc2N)COP(=O)(O)O
NscNumber:
759194
Complexity:
514
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
-3.1
CatalogNumber: AI55998
ChemicalName: 3-(3-Cholamidopropyl)dimethylammonio-1-propanesulfonate
CasNumber: 75621-03-3
MolecularFormula: C32H58N2O7S
MolecularWeight: 614.8771
MdlNumber: MFCD00081083
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C
NscNumber: __
Complexity: 1030
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 11
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 11
Xlogp3: 2.9
CatalogNumber:
AI55998
ChemicalName:
3-(3-Cholamidopropyl)dimethylammonio-1-propanesulfonate
CasNumber:
75621-03-3
MolecularFormula:
C32H58N2O7S
MolecularWeight:
614.8771
MdlNumber:
MFCD00081083
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C
NscNumber:
__
Complexity:
1030
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
11
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1cccc2c1cccc2)N(C)C
NscNumber: __
Complexity: 215
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1cccc2c1cccc2)N(C)C
NscNumber:
__
Complexity:
215
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]cnc2c1CNCC2.Cl.Cl.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]cnc2c1CNCC2.Cl.Cl.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__