[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate

C24H24O8 — CID 6479857

IUPAC[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC2c3ccccc3-c3ccccc32)OC[C@@H]1OC(C)=O
InChIInChI=1S/C24H24O8/c1-13(25)29-20-12-28-24(23(31-15(3)27)22(20)30-14(2)26)32-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,20-24H,12H2,1-3H3/t20-,22-,23+,24+/m0/s1
InChIKeyZHVVXQMCQUKHIP-IQFVJIFQSA-N
MW440.45 g/mol
LogP2.92
Rot. Bonds5

About [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate

[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate (PubChem CID 6479857) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate
PubChem CID6479857
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC2c3ccccc3-c3ccccc32)OC[C@@H]1OC(C)=O
InChIInChI=1S/C24H24O8/c1-13(25)29-20-12-28-24(23(31-15(3)27)22(20)30-14(2)26)32-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,20-24H,12H2,1-3H3/t20-,22-,23+,24+/m0/s1
InChIKeyZHVVXQMCQUKHIP-IQFVJIFQSA-N
XLogP2.92
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate with MolForge

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Related Compounds

Dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate
CID 3242032
(1R,6E,13R,15S,16R,17S)-15-octoxy-16,17-bis(phenylmethoxy)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene-3,10-dione
CID 46933696
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-yl acetate
CID 562057
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate
CID 163044451
[(3R,4R,5S,6S)-4,5-diacetoxy-6-(9H-fluoren-9-yloxy)tetrahydropyran-3-yl] acetate
CID 3011491
Acetic acid 4,6-diacetoxy-2-(9H-fluoren-9-yloxy)-5-isopropenyloxy-tetrahydro-pyran-3-yl ester
CID 3011492
(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)tetrahydropyran-3,4,5-triol
CID 3011493
(2R,3R,4S,5S)-2-(9H-fluoren-9-yloxy)tetrahydropyran-3,4,5-triol
CID 6479858
Benzyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside
CID 3797448
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 2729835
9-Fluorenyl acetate
CID 141166

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate (CID 6479857) is [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC2c3ccccc3-c3ccccc32)OC[C@@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate?
The InChIKey is ZHVVXQMCQUKHIP-IQFVJIFQSA-N. The full InChI is InChI=1S/C24H24O8/c1-13(25)29-20-12-28-24(23(31-15(3)27)22(20)30-14(2)26)32-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,20-24H,12H2,1-3H3/t20-,22-,23+,24+/m0/s1.
What are the key properties of [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate?
[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate has a molecular weight of 440.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate is sourced from PubChem (CID 6479857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).