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

C27H30O5 — CID 11112884

IUPAC(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C27H30O5/c1-26(2)31-24(18-28)25(32-26)23(29)19-30-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-25,28-29H,18-19H2,1-2H3/t23-,24+,25-/m1/s1
InChIKeyKUMMRXYAJNXIQX-DSNGMDLFSA-N
MW434.53 g/mol
LogP3.87
Rot. Bonds8

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

(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (PubChem CID 11112884) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
PubChem CID11112884
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C27H30O5/c1-26(2)31-24(18-28)25(32-26)23(29)19-30-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-25,28-29H,18-19H2,1-2H3/t23-,24+,25-/m1/s1
InChIKeyKUMMRXYAJNXIQX-DSNGMDLFSA-N
XLogP3.87
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 46908929
Icariside F2
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Tribenoside
CID 196122
Hydrangeifolin I
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CID 9866479
Dibenzylidenesorbitol
CID 10926424
[5-[Hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 571026
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
Benzoin ethylene ketal
CID 243623
Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
CID 11190476
Glyvenol
CID 5557
(2S,3R,4S,5S)-5-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol
CID 6604335

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The IUPAC name of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (CID 11112884) is (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.
What is the SMILES notation for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The canonical SMILES for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is CC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](CO)O1.
What is the InChIKey of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The InChIKey is KUMMRXYAJNXIQX-DSNGMDLFSA-N. The full InChI is InChI=1S/C27H30O5/c1-26(2)31-24(18-28)25(32-26)23(29)19-30-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-25,28-29H,18-19H2,1-2H3/t23-,24+,25-/m1/s1.
What are the key properties of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol has a molecular weight of 434.53 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is sourced from PubChem (CID 11112884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).