(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one

C18H30O8 — CID 101003257

IUPAC(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one
SMILESCC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)C[C@@H](O)[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C18H30O8/c1-16(2)21-8-12(23-16)10(19)7-11(20)14-15(26-18(5,6)25-14)13-9-22-17(3,4)24-13/h10,12-15,19H,7-9H2,1-6H3/t10-,12+,13+,14+,15+/m1/s1
InChIKeyRFZWDFDDIDTENL-BFYSQQLMSA-N
MW374.43 g/mol
LogP1.13
Rot. Bonds5

About (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one

(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one (PubChem CID 101003257) has the molecular formula C18H30O8 and a molecular weight of 374.43 g/mol. Its IUPAC name is (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one
PubChem CID101003257
Molecular FormulaC18H30O8
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one
SMILESCC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)C[C@@H](O)[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C18H30O8/c1-16(2)21-8-12(23-16)10(19)7-11(20)14-15(26-18(5,6)25-14)13-9-22-17(3,4)24-13/h10,12-15,19H,7-9H2,1-6H3/t10-,12+,13+,14+,15+/m1/s1
InChIKeyRFZWDFDDIDTENL-BFYSQQLMSA-N
XLogP1.13
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one
CID 101003262
(3R)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one
CID 10984188
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
sodium (4S)-4-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-oxobutanoate
CID 44511294
(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one
CID 13293632
(E)-3-(dimethylamino)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one
CID 101272679
(3R)-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 101060939
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
methyl (4S,5S)-5-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154706321
methyl (4R,5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 156595132
1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol
CID 73334090
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one?
The IUPAC name of (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one (CID 101003257) is (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one?
The canonical SMILES for (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one is CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)C[C@@H](O)[C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one?
The InChIKey is RFZWDFDDIDTENL-BFYSQQLMSA-N. The full InChI is InChI=1S/C18H30O8/c1-16(2)21-8-12(23-16)10(19)7-11(20)14-15(26-18(5,6)25-14)13-9-22-17(3,4)24-13/h10,12-15,19H,7-9H2,1-6H3/t10-,12+,13+,14+,15+/m1/s1.
What are the key properties of (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one?
(3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one has a molecular weight of 374.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 101003257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).