(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

C24H26O5 — CID 23930949

IUPAC(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1CCCO
InChIInChI=1S/C24H26O5/c1-2-28-24-20(8-5-11-25)21(14-22(29-24)23(26)27)16-9-10-19-17(13-16)12-15-6-3-4-7-18(15)19/h3-4,6-7,9-10,13-14,20-21,24-25H,2,5,8,11-12H2,1H3,(H,26,27)/t20-,21+,24+/m0/s1
InChIKeyBHCNCJACDBBACN-YZUZCNPQSA-N
MW394.47 g/mol
LogP4.09
Rot. Bonds7

About (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 23930949) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID23930949
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1CCCO
InChIInChI=1S/C24H26O5/c1-2-28-24-20(8-5-11-25)21(14-22(29-24)23(26)27)16-9-10-19-17(13-16)12-15-6-3-4-7-18(15)19/h3-4,6-7,9-10,13-14,20-21,24-25H,2,5,8,11-12H2,1H3,(H,26,27)/t20-,21+,24+/m0/s1
InChIKeyBHCNCJACDBBACN-YZUZCNPQSA-N
XLogP4.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 23930949) is (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is CCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1CCCO.
What is the InChIKey of (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is BHCNCJACDBBACN-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H26O5/c1-2-28-24-20(8-5-11-25)21(14-22(29-24)23(26)27)16-9-10-19-17(13-16)12-15-6-3-4-7-18(15)19/h3-4,6-7,9-10,13-14,20-21,24-25H,2,5,8,11-12H2,1H3,(H,26,27)/t20-,21+,24+/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 23930949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).