[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

C19H24O8 — CID 165344470

IUPAC[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H]2O[C@H](C)O[C@@H]2[C@H](OCc2ccccc2)[C@@H]1OC(C)=O
InChIInChI=1S/C19H24O8/c1-11(20)22-10-15-16(24-12(2)21)17(18-19(27-15)26-13(3)25-18)23-9-14-7-5-4-6-8-14/h4-8,13,15-19H,9-10H2,1-3H3/t13-,15-,16-,17-,18-,19+/m1/s1
InChIKeyQVVBJEXUGQKEBV-RZDZEHBZSA-N
MW380.39 g/mol
LogP1.55
Rot. Bonds6

About [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate (PubChem CID 165344470) has the molecular formula C19H24O8 and a molecular weight of 380.39 g/mol. Its IUPAC name is [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
PubChem CID165344470
Molecular FormulaC19H24O8
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H]2O[C@H](C)O[C@@H]2[C@H](OCc2ccccc2)[C@@H]1OC(C)=O
InChIInChI=1S/C19H24O8/c1-11(20)22-10-15-16(24-12(2)21)17(18-19(27-15)26-13(3)25-18)23-9-14-7-5-4-6-8-14/h4-8,13,15-19H,9-10H2,1-3H3/t13-,15-,16-,17-,18-,19+/m1/s1
InChIKeyQVVBJEXUGQKEBV-RZDZEHBZSA-N
XLogP1.55
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate with MolForge

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Related Compounds

[(2R,3R,4R,5S)-3-acetyloxy-6-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 171137897
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 23246983
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,5S,6S)-2,3,5,6-tetraacetyloxy-4-phenylmethoxycyclohexyl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 102152290
[(2S,3aR,5R,6R,7S,7aR)-2-[[(2R,3R,4R,5R)-5-[[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
CID 102180543
[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
CID 54155498
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-3-phenylmethoxy-6-[(2R,3S,4S,5R,6S)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 118869927
[(2S,3R,4S,5S,6R)-3,4,6-triacetyloxy-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 118869888
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20,25-bis(acetyloxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,30,35-tetrakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl acetate
CID 44606511
[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-4-phenylmethoxy-6-phenylsulfanyloxan-2-yl]methyl acetate
CID 101117613

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The IUPAC name of [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate (CID 165344470) is [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate.
What is the SMILES notation for [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The canonical SMILES for [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H]2O[C@H](C)O[C@@H]2[C@H](OCc2ccccc2)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The InChIKey is QVVBJEXUGQKEBV-RZDZEHBZSA-N. The full InChI is InChI=1S/C19H24O8/c1-11(20)22-10-15-16(24-12(2)21)17(18-19(27-15)26-13(3)25-18)23-9-14-7-5-4-6-8-14/h4-8,13,15-19H,9-10H2,1-3H3/t13-,15-,16-,17-,18-,19+/m1/s1.
What are the key properties of [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
[(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate has a molecular weight of 380.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,5R,6R,7R,7aR)-6-acetyloxy-2-methyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate is sourced from PubChem (CID 165344470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).