CS-0459313
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((3R,3aR,6S,6aS)-6-(nitrooxy)hexahydrofuro[3,2-b]furan-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 89576-61-4
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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
C₁₂H₁₇NO₁₂
Molecular Weight
367.26
Synonyms
MQHSDQNPAIOBOQ-SZBZKPPKSA-N
SMILES
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@]1(OC[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O3)O)O)O)[H]
Tpsa
187.28
Logp
-3.3617
H Acceptors
11
H Donors
4
Rotatable Bonds
5
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SAFETY INFORMATION
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: C₁₂H₁₇NO₁₂
Molecular Weight: 367.26
Synonyms: MQHSDQNPAIOBOQ-SZBZKPPKSA-N
SMILES: [H][C@]12OC[C@H](O[N+]([O-])=O)[C@]1(OC[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O3)O)O)O)[H]
Tpsa: 187.28
Logp: -3.3617
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇NO₁₂
Molecular Weight:
367.26
Synonyms:
MQHSDQNPAIOBOQ-SZBZKPPKSA-N
SMILES:
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@]1(OC[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O3)O)O)O)[H]
Tpsa:
187.28
Logp:
-3.3617
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O₃
Molecular Weight: 116.12
Synonyms: 3-hydroxy-acrylic acid ethyl ester
SMILES: O=C(OCC)C=CO
Tpsa: 46.53
Logp: 0.6212
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈O₃
Molecular Weight:
116.12
Synonyms:
3-hydroxy-acrylic acid ethyl ester
SMILES:
O=C(OCC)C=CO
Tpsa:
46.53
Logp:
0.6212
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃F₄NO₄
Molecular Weight: 253.11
Synonyms: 2,2,3,3-Tetrafluoro-6-nitro-1,4-benzodioxane
SMILES: O=[N+](C1=CC=C(OC(F)(F)C(F)(F)O2)C2=C1)[O-]
Tpsa: 61.6
Logp: 2.5516
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃F₄NO₄
Molecular Weight:
253.11
Synonyms:
2,2,3,3-Tetrafluoro-6-nitro-1,4-benzodioxane
SMILES:
O=[N+](C1=CC=C(OC(F)(F)C(F)(F)O2)C2=C1)[O-]
Tpsa:
61.6
Logp:
2.5516
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₅N₃
Molecular Weight: 259.39
Synonyms: 1-Phenyl-4-(3-piperidylmethyl)piperazine
SMILES: N1(C2=CC=CC=C2)CCN(CC3CNCCC3)CC1
Tpsa: 18.51
Logp: 1.8082
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₅N₃
Molecular Weight:
259.39
Synonyms:
1-Phenyl-4-(3-piperidylmethyl)piperazine
SMILES:
N1(C2=CC=CC=C2)CCN(CC3CNCCC3)CC1
Tpsa:
18.51
Logp:
1.8082
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3