9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate

C29H28O6 — CID 59142010

IUPAC9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate
SMILESCC1COC2COC(c3ccccc3)OC2[C@@H]1OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H28O6/c1-18-15-31-25-17-32-28(19-9-3-2-4-10-19)34-27(25)26(18)35-29(30)33-16-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-28H,15-17H2,1H3/t18?,25?,26-,27?,28?/m1/s1
InChIKeyDEODMHKJGKLTNL-LMMOBPLSSA-N
MW472.54 g/mol
LogP5.47
Rot. Bonds4

About 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate

9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate (PubChem CID 59142010) has the molecular formula C29H28O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate
PubChem CID59142010
Molecular FormulaC29H28O6
Molecular Weight472.54 g/mol
Exact Mass472.19
IUPAC Name9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate
SMILESCC1COC2COC(c3ccccc3)OC2[C@@H]1OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H28O6/c1-18-15-31-25-17-32-28(19-9-3-2-4-10-19)34-27(25)26(18)35-29(30)33-16-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-28H,15-17H2,1H3/t18?,25?,26-,27?,28?/m1/s1
InChIKeyDEODMHKJGKLTNL-LMMOBPLSSA-N
XLogP5.47
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 9H-fluoren-9-ylmethyl carbonate
CID 11456129
[(4aR,7R,8S,8aS)-8-(9H-fluoren-9-ylmethoxycarbonyloxy)-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate
CID 91393491
[(2R,4aR,6R,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 9H-fluoren-9-ylmethyl carbonate
CID 11061525
[(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4-diacetyloxy-5-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-2-yl]methyl acetate
CID 102031518
(8S,8aS)-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 173382281
(2R,4aR,7S,8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 58060719
[(6S,7S,8aR)-6-[(3R,4S,6R)-5-butoxy-2-(butoxymethyl)-6-[(2S,3S,5R)-4,5-dibutoxy-6-(butoxymethyl)-2-hydroxyoxan-3-yl]oxy-4-(9H-fluoren-9-ylmethoxycarbonyloxy)oxan-3-yl]oxy-8-(9H-fluoren-9-ylmethoxycarbonyloxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
CID 90277726
4-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1,3-dioxan-2-yl]benzoic acid
CID 85342909
[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzyl carbonate
CID 102239271
[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-prop-2-enoxycarbonyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 102239262
[(4aR,7S,8R,8aS)-7-acetamido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 3-phenylpropanoate
CID 102411103
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate?
The IUPAC name of 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate (CID 59142010) is 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate?
The canonical SMILES for 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate is CC1COC2COC(c3ccccc3)OC2[C@@H]1OC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate?
The InChIKey is DEODMHKJGKLTNL-LMMOBPLSSA-N. The full InChI is InChI=1S/C29H28O6/c1-18-15-31-25-17-32-28(19-9-3-2-4-10-19)34-27(25)26(18)35-29(30)33-16-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-28H,15-17H2,1H3/t18?,25?,26-,27?,28?/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate?
9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate has a molecular weight of 472.54 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl [(8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] carbonate is sourced from PubChem (CID 59142010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).