(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol

C17H30O6 — CID 134972722

IUPAC(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CC[C@]3(C)O[C@H]3CO)O2)O1
InChIInChI=1S/C17H30O6/c1-15(2)20-10-14(22-15)17(4)7-5-11(19)12(21-17)6-8-16(3)13(9-18)23-16/h11-14,18-19H,5-10H2,1-4H3/t11-,12+,13-,14+,16-,17-/m0/s1
InChIKeyQNICWVRDAIKPLY-UIWYYIFQSA-N
MW330.42 g/mol
LogP1.37
Rot. Bonds5

About (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol

(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol (PubChem CID 134972722) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol
PubChem CID134972722
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CC[C@]3(C)O[C@H]3CO)O2)O1
InChIInChI=1S/C17H30O6/c1-15(2)20-10-14(22-15)17(4)7-5-11(19)12(21-17)6-8-16(3)13(9-18)23-16/h11-14,18-19H,5-10H2,1-4H3/t11-,12+,13-,14+,16-,17-/m0/s1
InChIKeyQNICWVRDAIKPLY-UIWYYIFQSA-N
XLogP1.37
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(7-hydroxy-3,7-dimethyloctoxy)oxane-3,4,5-triol
CID 145963176
Okaspirodiol
CID 16086659
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
CID 85225480
12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl))-3-O-methyl-D-galactopyranose
CID 139591154
1-[6-[2-[2-[5-(2-Hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl]oxy-2-methylhexane-2,3-diol
CID 163192515
Isomaltosylfructoside
CID 3082189
Caryophyllan
CID 139583797
alpha-D-Glucopyranoside, beta-D-fructofuranosyl, acetate 2-methylpropanoate
CID 44149120
(3'aR,4S)-7'-(2-ethyl-2-hydroxybutyl)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 135005633
(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol
CID 18596445
(3R,4S,5R)-3-[(1R)-1,2-dihydroxyethyl]-6,6-dimethyl-2-oxabicyclo[3.1.0]hexane-1,4,5-triol
CID 54113684
(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
CID 57147822

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol (CID 134972722) is (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol is CC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CC[C@]3(C)O[C@H]3CO)O2)O1.
What is the InChIKey of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol?
The InChIKey is QNICWVRDAIKPLY-UIWYYIFQSA-N. The full InChI is InChI=1S/C17H30O6/c1-15(2)20-10-14(22-15)17(4)7-5-11(19)12(21-17)6-8-16(3)13(9-18)23-16/h11-14,18-19H,5-10H2,1-4H3/t11-,12+,13-,14+,16-,17-/m0/s1.
What are the key properties of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol?
(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol has a molecular weight of 330.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-6-methyloxan-3-ol is sourced from PubChem (CID 134972722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).