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

C17H28O8 — CID 102459498

IUPAC(4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)O[C@H]([C@@H](O)[C@H]2OC(C)(C)OCC2=O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C17H28O8/c1-15(2)21-8-10(22-15)13-14(25-17(5,6)24-13)11(19)12-9(18)7-20-16(3,4)23-12/h10-14,19H,7-8H2,1-6H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyMKVATTXMSUJCPX-MBJXGIAVSA-N
MW360.40 g/mol
LogP0.74
Rot. Bonds3

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

(4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 102459498) has the molecular formula C17H28O8 and a molecular weight of 360.40 g/mol. Its IUPAC name is (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID102459498
Molecular FormulaC17H28O8
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name(4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)O[C@H]([C@@H](O)[C@H]2OC(C)(C)OCC2=O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C17H28O8/c1-15(2)21-8-10(22-15)13-14(25-17(5,6)24-13)11(19)12-9(18)7-20-16(3,4)23-12/h10-14,19H,7-8H2,1-6H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyMKVATTXMSUJCPX-MBJXGIAVSA-N
XLogP0.74
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octanoyl-beta-D-glucuronide
CID 127448
1,2-Diacyl-3-alpha-d-glucuronopyranosyl-sn-glycerol taurineamide
CID 138312645
Kdo(a2-4)Kdo(a)-O-Pr
CID 72199994
(2S,3S,4S,5R,6R)-6-[1,3-di(octadecanoyloxy)propan-2-yloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 101894520
(2S,3S,4S,5R,6R)-6-[1,3-di(decanoyloxy)propan-2-yloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 101894521
GlcADG(16:0/16:0)
CID 154573296
3-deoxy-5-O-rhamnopyranosyl-2-octulopyranosonate
CID 125905
(2R,3S,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-2-propoxyoxane-2-carboxylate
CID 72200019
Deaminotri-O-isopropylidene tunicamine
CID 3083348
(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 10587536
3,5:6,7-Bis-O-(1-methylethylidene)-a-D-glucoheptonic gamma-lactone
CID 10859157
Galactosylgalactose
CID 18654346

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one (CID 102459498) is (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)O[C@H]([C@@H](O)[C@H]2OC(C)(C)OCC2=O)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is MKVATTXMSUJCPX-MBJXGIAVSA-N. The full InChI is InChI=1S/C17H28O8/c1-15(2)21-8-10(22-15)13-14(25-17(5,6)24-13)11(19)12-9(18)7-20-16(3,4)23-12/h10-14,19H,7-8H2,1-6H3/t10-,11+,12+,13-,14-/m1/s1.
What are the key properties of (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one?
(4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 360.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 102459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).