(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]

C48H52O10 — CID 134847324

IUPAC(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]
SMILESCOC1O[C@@H]2COC3(CC(OCc4ccccc4)C(OCc4ccccc4)C(COCc4ccccc4)O3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C48H52O10/c1-49-47-46(54-32-39-25-15-6-16-26-39)45(53-31-38-23-13-5-14-24-38)44-41(56-47)34-55-48(58-44)27-40(51-29-36-19-9-3-10-20-36)43(52-30-37-21-11-4-12-22-37)42(57-48)33-50-28-35-17-7-2-8-18-35/h2-26,40-47H,27-34H2,1H3/t40?,41-,42?,43?,44-,45+,46?,47?,48?/m1/s1
InChIKeyLVLQAYFPVXNWQT-HFPCTJFPSA-N
MW788.93 g/mol
LogP7.77
Rot. Bonds17

About (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]

(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] (PubChem CID 134847324) has the molecular formula C48H52O10 and a molecular weight of 788.93 g/mol. Its IUPAC name is (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane].

Molecular Properties

Compound Name(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]
PubChem CID134847324
Molecular FormulaC48H52O10
Molecular Weight788.93 g/mol
Exact Mass788.36
IUPAC Name(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]
SMILESCOC1O[C@@H]2COC3(CC(OCc4ccccc4)C(OCc4ccccc4)C(COCc4ccccc4)O3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C48H52O10/c1-49-47-46(54-32-39-25-15-6-16-26-39)45(53-31-38-23-13-5-14-24-38)44-41(56-47)34-55-48(58-44)27-40(51-29-36-19-9-3-10-20-36)43(52-30-37-21-11-4-12-22-37)42(57-48)33-50-28-35-17-7-2-8-18-35/h2-26,40-47H,27-34H2,1H3/t40?,41-,42?,43?,44-,45+,46?,47?,48?/m1/s1
InChIKeyLVLQAYFPVXNWQT-HFPCTJFPSA-N
XLogP7.77
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.93
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] with MolForge

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Related Compounds

(4R,4'R,5'S,5aR,8S,9aR)-8-methoxy-6-methyl-4',5'-bis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[6,8,9,9a-tetrahydro-5aH-pyrano[3,4-f][1,3,5]trioxepine-4,2'-oxane]
CID 138981391
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-7-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102244235
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-8-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102396173
(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7,8-bis[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 162786707
(4aR,7R,8S,8aR)-2,2-dimethyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 166514231
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2S,3S,4S,5R,6S)-2-(iodomethyl)-6-methoxy-4,5-bis(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 10079675
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674

Frequently Asked Questions

What is the IUPAC name of (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]?
The IUPAC name of (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] (CID 134847324) is (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane].
What is the SMILES notation for (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]?
The canonical SMILES for (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] is COC1O[C@@H]2COC3(CC(OCc4ccccc4)C(OCc4ccccc4)C(COCc4ccccc4)O3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]?
The InChIKey is LVLQAYFPVXNWQT-HFPCTJFPSA-N. The full InChI is InChI=1S/C48H52O10/c1-49-47-46(54-32-39-25-15-6-16-26-39)45(53-31-38-23-13-5-14-24-38)44-41(56-47)34-55-48(58-44)27-40(51-29-36-19-9-3-10-20-36)43(52-30-37-21-11-4-12-22-37)42(57-48)33-50-28-35-17-7-2-8-18-35/h2-26,40-47H,27-34H2,1H3/t40?,41-,42?,43?,44-,45+,46?,47?,48?/m1/s1.
What are the key properties of (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]?
(4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] has a molecular weight of 788.93 g/mol, XLogP of 7.77, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane] is sourced from PubChem (CID 134847324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).