(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol

C16H18FNO4 — CID 70191094

IUPAC(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol
SMILESC[C@H]1O[C@@H](Oc2c(O)ccc3ccccc23)[C@H](F)[C@@H](O)[C@@H]1N
InChIInChI=1S/C16H18FNO4/c1-8-13(18)14(20)12(17)16(21-8)22-15-10-5-3-2-4-9(10)6-7-11(15)19/h2-8,12-14,16,19-20H,18H2,1H3/t8-,12-,13-,14-,16+/m1/s1
InChIKeyKGMYKHWRVVKDSY-GHXVWQQGSA-N
MW307.32 g/mol
LogP1.70
Rot. Bonds2

About (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol

(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol (PubChem CID 70191094) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol
PubChem CID70191094
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol
SMILESC[C@H]1O[C@@H](Oc2c(O)ccc3ccccc23)[C@H](F)[C@@H](O)[C@@H]1N
InChIInChI=1S/C16H18FNO4/c1-8-13(18)14(20)12(17)16(21-8)22-15-10-5-3-2-4-9(10)6-7-11(15)19/h2-8,12-14,16,19-20H,18H2,1H3/t8-,12-,13-,14-,16+/m1/s1
InChIKeyKGMYKHWRVVKDSY-GHXVWQQGSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol?
The IUPAC name of (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol (CID 70191094) is (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol?
The canonical SMILES for (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol is C[C@H]1O[C@@H](Oc2c(O)ccc3ccccc23)[C@H](F)[C@@H](O)[C@@H]1N.
What is the InChIKey of (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol?
The InChIKey is KGMYKHWRVVKDSY-GHXVWQQGSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-8-13(18)14(20)12(17)16(21-8)22-15-10-5-3-2-4-9(10)6-7-11(15)19/h2-8,12-14,16,19-20H,18H2,1H3/t8-,12-,13-,14-,16+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol?
(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol has a molecular weight of 307.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol is sourced from PubChem (CID 70191094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).