7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine

C32H28Cl2N2O5 — CID 155222859

IUPAC7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2occ([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c2n1
InChIInChI=1S/C32H28Cl2N2O5/c33-31-29-26(35-32(34)36-31)24(19-40-29)27-30(39-18-23-14-8-3-9-15-23)28(38-17-22-12-6-2-7-13-22)25(41-27)20-37-16-21-10-4-1-5-11-21/h1-15,19,25,27-28,30H,16-18,20H2/t25-,27+,28-,30+/m1/s1
InChIKeyVXHUCUNJYZJTTB-QGLFWIBISA-N
MW591.49 g/mol
LogP7.36
Rot. Bonds11

About 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine

7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine (PubChem CID 155222859) has the molecular formula C32H28Cl2N2O5 and a molecular weight of 591.49 g/mol. Its IUPAC name is 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine
PubChem CID155222859
Molecular FormulaC32H28Cl2N2O5
Molecular Weight591.49 g/mol
Exact Mass590.14
IUPAC Name7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2occ([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c2n1
InChIInChI=1S/C32H28Cl2N2O5/c33-31-29-26(35-32(34)36-31)24(19-40-29)27-30(39-18-23-14-8-3-9-15-23)28(38-17-22-12-6-2-7-13-22)25(41-27)20-37-16-21-10-4-1-5-11-21/h1-15,19,25,27-28,30H,16-18,20H2/t25-,27+,28-,30+/m1/s1
InChIKeyVXHUCUNJYZJTTB-QGLFWIBISA-N
XLogP7.36
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline
CID 155224407
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
3-amino-4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carbothioamide
CID 87085624
(2S,3S,4R,5R)-2-[2,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 10604679
2-(2-fluoro-3-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 23080574
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148
4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide
CID 154664850
4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,5,6-trichloro-1H-benzimidazole
CID 67566410
1-[4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazol-2-yl]ethane-1,2-diol
CID 157021224
(3S,4R,5R,6R)-2-[5-(bromomethyl)-4-chloro-2-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 53330621
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine?
The IUPAC name of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine (CID 155222859) is 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine?
The canonical SMILES for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine is Clc1nc(Cl)c2occ([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c2n1.
What is the InChIKey of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine?
The InChIKey is VXHUCUNJYZJTTB-QGLFWIBISA-N. The full InChI is InChI=1S/C32H28Cl2N2O5/c33-31-29-26(35-32(34)36-31)24(19-40-29)27-30(39-18-23-14-8-3-9-15-23)28(38-17-22-12-6-2-7-13-22)25(41-27)20-37-16-21-10-4-1-5-11-21/h1-15,19,25,27-28,30H,16-18,20H2/t25-,27+,28-,30+/m1/s1.
What are the key properties of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine?
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine has a molecular weight of 591.49 g/mol, XLogP of 7.36, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine is sourced from PubChem (CID 155222859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).