(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol

C24H34O7 — CID 58747750

IUPAC(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol
SMILESCC1(C)O[C@@H]2[C@@H]([C@H]3COC(C)(C)O3)[C@H](C[C@H]3OC(c4ccccc4)OC[C@@H]3O)C[C@@H]2O1
InChIInChI=1S/C24H34O7/c1-23(2)27-13-19(30-23)20-15(11-18-21(20)31-24(3,4)29-18)10-17-16(25)12-26-22(28-17)14-8-6-5-7-9-14/h5-9,15-22,25H,10-13H2,1-4H3/t15-,16+,17-,18+,19-,20-,21+,22?/m1/s1
InChIKeyJZGGBSVXNSDJLY-SCIXWPMGSA-N
MW434.53 g/mol
LogP3.16
Rot. Bonds4

About (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol

(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol (PubChem CID 58747750) has the molecular formula C24H34O7 and a molecular weight of 434.53 g/mol. Its IUPAC name is (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol
PubChem CID58747750
Molecular FormulaC24H34O7
Molecular Weight434.53 g/mol
Exact Mass434.23
IUPAC Name(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol
SMILESCC1(C)O[C@@H]2[C@@H]([C@H]3COC(C)(C)O3)[C@H](C[C@H]3OC(c4ccccc4)OC[C@@H]3O)C[C@@H]2O1
InChIInChI=1S/C24H34O7/c1-23(2)27-13-19(30-23)20-15(11-18-21(20)31-24(3,4)29-18)10-17-16(25)12-26-22(28-17)14-8-6-5-7-9-14/h5-9,15-22,25H,10-13H2,1-4H3/t15-,16+,17-,18+,19-,20-,21+,22?/m1/s1
InChIKeyJZGGBSVXNSDJLY-SCIXWPMGSA-N
XLogP3.16
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol?
The IUPAC name of (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol (CID 58747750) is (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol?
The canonical SMILES for (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol is CC1(C)O[C@@H]2[C@@H]([C@H]3COC(C)(C)O3)[C@H](C[C@H]3OC(c4ccccc4)OC[C@@H]3O)C[C@@H]2O1.
What is the InChIKey of (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol?
The InChIKey is JZGGBSVXNSDJLY-SCIXWPMGSA-N. The full InChI is InChI=1S/C24H34O7/c1-23(2)27-13-19(30-23)20-15(11-18-21(20)31-24(3,4)29-18)10-17-16(25)12-26-22(28-17)14-8-6-5-7-9-14/h5-9,15-22,25H,10-13H2,1-4H3/t15-,16+,17-,18+,19-,20-,21+,22?/m1/s1.
What are the key properties of (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol?
(4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol has a molecular weight of 434.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[[(3aR,4R,5R,6aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methyl]-2-phenyl-1,3-dioxan-5-ol is sourced from PubChem (CID 58747750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).