CS-0914185
(2R,3R,4S,5R,6R)-6-((1S,2S)-2-chloro-1-((2S,4S)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-4,5-dihydroxy-2-(methylthio)tetrahydro-2H-pyran-3-yl dihydrogen phosphate
Manufacturer: ChemScene
CAS Number: 1803042-32-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₃₄ClN₂O₈PS
Molecular Weight
504.96
Synonyms
None
SMILES
[C@@H](NC(=O)[C@@H]1C[C@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[H]
Tpsa
148.79
Logp
0.5065
H Acceptors
8
H Donors
5
Rotatable Bonds
9
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₄ClN₂O₈PS
Molecular Weight: 504.96
Synonyms: None
SMILES: [C@@H](NC(=O)[C@@H]1C[C@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[H]
Tpsa: 148.79
Logp: 0.5065
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₄ClN₂O₈PS
Molecular Weight:
504.96
Synonyms:
None
SMILES:
[C@@H](NC(=O)[C@@H]1C[C@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[H]
Tpsa:
148.79
Logp:
0.5065
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₄ClN₂O₉PS
Molecular Weight: 520.96
Synonyms: None
SMILES: O=C([C@@H]1C[C@H](CN1C)CCC)N[C@@H]([C@@]2([H])O[C@]([C@@H]([C@H]([C@H]2O)O)OP(O)(O)=O)([H])[S@](C)=O)[C@@H](Cl)C
Tpsa: 165.86
Logp: -0.478
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₄ClN₂O₉PS
Molecular Weight:
520.96
Synonyms:
None
SMILES:
O=C([C@@H]1C[C@H](CN1C)CCC)N[C@@H]([C@@]2([H])O[C@]([C@@H]([C@H]([C@H]2O)O)OP(O)(O)=O)([H])[S@](C)=O)[C@@H](Cl)C
Tpsa:
165.86
Logp:
-0.478
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₄ClN₂O₉PS
Molecular Weight: 520.96
Synonyms: None
SMILES: [C@H]([C@@]([H])1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@]([H])([S@](=O)C)O1)([C@@H](Cl)C)NC([C@H]1N(C)C[C@H](CCC)C1)=O
Tpsa: 165.86
Logp: -0.478
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₄ClN₂O₉PS
Molecular Weight:
520.96
Synonyms:
None
SMILES:
[C@H]([C@@]([H])1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@]([H])([S@](=O)C)O1)([C@@H](Cl)C)NC([C@H]1N(C)C[C@H](CCC)C1)=O
Tpsa:
165.86
Logp:
-0.478
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₈Cl₂O₆
Molecular Weight: 507.40
Synonyms: None
SMILES: O(C(=O)C1=CC=CO1)[C@@]2(C(CCl)=O)[C@]3(C)[C@@](CC2)([C@]4([C@](Cl)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]
Tpsa: 93.81
Logp: 4.6232
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₈Cl₂O₆
Molecular Weight:
507.40
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CO1)[C@@]2(C(CCl)=O)[C@]3(C)[C@@](CC2)([C@]4([C@](Cl)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]
Tpsa:
93.81
Logp:
4.6232
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4