AB51221
29908-11-0 | 1,4-Dioxan-2-ylmethanol
Manufacturer: A2B Chem
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CatalogNumber
AB51221
ChemicalName
1,4-Dioxan-2-ylmethanol
CasNumber
29908-11-0
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD08669844
Smiles
OCC1COCCO1
Complexity
64.7
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.9
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CatalogNumber: AB51221
ChemicalName: 1,4-Dioxan-2-ylmethanol
CasNumber: 29908-11-0
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD08669844
Smiles: OCC1COCCO1
Complexity: 64.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.9
CatalogNumber:
AB51221
ChemicalName:
1,4-Dioxan-2-ylmethanol
CasNumber:
29908-11-0
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD08669844
Smiles:
OCC1COCCO1
Complexity:
64.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCc1ccc(cc1)O
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 6.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCc1ccc(cc1)O
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
6.4
CatalogNumber: AB51223
ChemicalName: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
CasNumber: 30562-34-6
MolecularFormula: C29H40N2O9
MolecularWeight: 560.6359
MdlNumber: MFCD00274570
Smiles: CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]1O)C)C)OC(=O)N)OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB51223
ChemicalName:
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
CasNumber:
30562-34-6
MolecularFormula:
C29H40N2O9
MolecularWeight:
560.6359
MdlNumber:
MFCD00274570
Smiles:
CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]1O)C)C)OC(=O)N)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB51224
ChemicalName: D-2-Bromophenylalanine
CasNumber: 267225-27-4
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD03092959
Smiles: OC(=O)[C@@H](Cc1ccccc1Br)N
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -0.7
CatalogNumber:
AB51224
ChemicalName:
D-2-Bromophenylalanine
CasNumber:
267225-27-4
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD03092959
Smiles:
OC(=O)[C@@H](Cc1ccccc1Br)N
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.7