(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol

C28H40O6P2 — CID 161452701

IUPAC(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol
SMILESCc1c(C)c2c(c(C)c1OP)CC[C@@](C)(C=O)O2.Cc1c(C)c2c(c(C)c1OP)CC[C@@](C)(CO)O2
InChIInChI=1S/C14H21O3P.C14H19O3P/c2*1-8-9(2)13-11(10(3)12(8)17-18)5-6-14(4,7-15)16-13/h15H,5-7,18H2,1-4H3;7H,5-6,18H2,1-4H3/t2*14-/m00/s1
InChIKeyWASYMMRFGWJHEL-DXZWIFNPSA-N
MW534.57 g/mol
LogP5.92
Rot. Bonds4

About (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol

(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol (PubChem CID 161452701) has the molecular formula C28H40O6P2 and a molecular weight of 534.57 g/mol. Its IUPAC name is (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol.

Molecular Properties

Compound Name(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol
PubChem CID161452701
Molecular FormulaC28H40O6P2
Molecular Weight534.57 g/mol
Exact Mass534.23
IUPAC Name(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol
SMILESCc1c(C)c2c(c(C)c1OP)CC[C@@](C)(C=O)O2.Cc1c(C)c2c(c(C)c1OP)CC[C@@](C)(CO)O2
InChIInChI=1S/C14H21O3P.C14H19O3P/c2*1-8-9(2)13-11(10(3)12(8)17-18)5-6-14(4,7-15)16-13/h15H,5-7,18H2,1-4H3;7H,5-6,18H2,1-4H3/t2*14-/m00/s1
InChIKeyWASYMMRFGWJHEL-DXZWIFNPSA-N
XLogP5.92
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol?
The IUPAC name of (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol (CID 161452701) is (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol.
What is the SMILES notation for (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol?
The canonical SMILES for (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol is Cc1c(C)c2c(c(C)c1OP)CC[C@@](C)(C=O)O2.Cc1c(C)c2c(c(C)c1OP)CC[C@@](C)(CO)O2.
What is the InChIKey of (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol?
The InChIKey is WASYMMRFGWJHEL-DXZWIFNPSA-N. The full InChI is InChI=1S/C14H21O3P.C14H19O3P/c2*1-8-9(2)13-11(10(3)12(8)17-18)5-6-14(4,7-15)16-13/h15H,5-7,18H2,1-4H3;7H,5-6,18H2,1-4H3/t2*14-/m00/s1.
What are the key properties of (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol?
(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol has a molecular weight of 534.57 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol is sourced from PubChem (CID 161452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).