(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol

C18H18O5 — CID 3011493

IUPAC(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@H](OC2c3ccccc3-c3ccccc32)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18O5/c19-14-9-22-18(16(21)15(14)20)23-17-12-7-3-1-5-10(12)11-6-2-4-8-13(11)17/h1-8,14-21H,9H2/t14-,15-,16+,18+/m1/s1
InChIKeyLHRCUGCREPSUSR-CBZIJGRNSA-N
MW314.34 g/mol
LogP1.21
Rot. Bonds2

About (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol

(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol (PubChem CID 3011493) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol
PubChem CID3011493
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@H](OC2c3ccccc3-c3ccccc32)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18O5/c19-14-9-22-18(16(21)15(14)20)23-17-12-7-3-1-5-10(12)11-6-2-4-8-13(11)17/h1-8,14-21H,9H2/t14-,15-,16+,18+/m1/s1
InChIKeyLHRCUGCREPSUSR-CBZIJGRNSA-N
XLogP1.21
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol (CID 3011493) is (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol is O[C@@H]1[C@H](OC2c3ccccc3-c3ccccc32)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol?
The InChIKey is LHRCUGCREPSUSR-CBZIJGRNSA-N. The full InChI is InChI=1S/C18H18O5/c19-14-9-22-18(16(21)15(14)20)23-17-12-7-3-1-5-10(12)11-6-2-4-8-13(11)17/h1-8,14-21H,9H2/t14-,15-,16+,18+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol?
(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol has a molecular weight of 314.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)oxane-3,4,5-triol is sourced from PubChem (CID 3011493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).