70679361
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9
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6
1
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1
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1
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1
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9
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14
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10
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20
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255
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3.769
5.135
2.5369
2.5369
6.001
5.769
6.001
4.269
3.403
4.269
3.403
4.269
5.135
4.769
5.135
5.135
3.403
3.732
3.403
5.135
4.8766
4.1864
3.732
2.5369
2
6.538
6.079
4.515
5.135
5.755
2.4145
1.0485
-0.4515
1.5485
-0.4515
2.4145
-1.4515
-1.4515
0.0485
-0.4515
1.0485
1.5485
0.0485
2.4145
-1.9515
-2.9515
-0.5715
-0.7615
1.6685
-0.5715
3.0251
2.6266
-1.7615
-1.0715
1.2385
-0.1415
2.9515
-2.9515
-3.5715
-2.9515
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
277
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C0723900000000000000000000000000000000000000240000000000000000000000001F0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[(2S,3R,4R,5S,6S)-6-fluoranyl-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7+,8-/m1/s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
FRZYHGPCSHDXIZ-QQGCVABSSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
239.080515
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C8H14FNO6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
239.198263
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)NC1C(C(C(OC1O)(CO)F)O)O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@@H]1O)(CO)F)O)O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
119
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
239.080515
16
5
5
0
0
0
0
0
1
2